| 2D Structure | |
| CID | 250096 |
| Target | CYP1A2 , LOC116160065 |
| IUPAC Name | benzyl (E)-2-methylbut-2-enoate |
| InChI | InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+ |
| InChI Key | QRGSTISKDZCDHV-XCVCLJGOSA-N |
| Canonical SMILES | CC=C(C)C(=O)OCC1=CC=CC=C1 |
| Isomeric SMILES | C/C=C(\C)/C(=O)OCC1=CC=CC=C1 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.24 |
| synonyms | ['Benzyl tiglate', 'Tiglic Acid Benzyl Ester', 'Benzyl trans-2,3-dimethylacrylate', 'Benzyl trans-2-methyl-2-butenoate', 'Benzyl 2-methylcrotonate', '(E)-benzyl tiglate', 'Benzyl trans-2-methylcrotonate', 'FEMA No. 3330', '2-Butenoic acid, 2-methyl-, phenylmethyl ester, (2E)-', '2-Butenoic acid, 2-methyl-, phenylmethyl ester, (E)-', '67UEP899RR', 'Benzyl (E)-2-methyl-2-butenoate', 'EINECS 253-544-8', 'EINECS 266-880-5', 'NSC 69098', 'NSC-69098', '2-Butenoic acid, 2-methyl-, phenylmethyl ester', 'trans-2-Butenoic acid, 2-methyl-, phenylmethyl ester', 'BENZYL TIGLATE [FHFI]', 'Phenylmethyl 2-methyl-2-butenoate, (E)-', 'AI3-05784', 'BENZYL TIGLATE, (E)-', 'BENZYL 2-METHYL-2-BUTENOATE, (E)-', 'benzyl (2Z)-2-methylbut-2-enoate', '37526-88-8', '(E)-Benzyl 2-methylbut-2-enoate', 'benzyl (E)-2-methylbut-2-enoate', 'Benzyl 2-methyl-2-butenoate', 'benzyl (2E)-2-methylbut-2-enoate', 'DTXSID3047130', 'UNII-67UEP899RR', '(2E)-2-Methyl-2-butenoic Acid Phenylmethyl Ester; Benzyl Tiglate; NSC 69098', 'MFCD00017279', 'SCHEMBL873995', 'SCHEMBL873996', 'CHEMBL3186295', 'DTXCID1027130', 'CHEBI:187225', '(E)-benzyl 2-methyl-2-butenoate', 'NSC69098', 'Tox21_302648', 'AKOS025296168', 'Benzyl (2E)-2-methyl-2-butenoate #', '(E)-Phenylmethyl 2-methyl-2-butenoate', 'NCGC00256881-01', 'LS-14071', 'trans-2-Butenoic acid, phenylmethyl ester', 'CAS-37526-88-8', 'B3348', 'NS00012012', 'D78437', '2-Methyl-phenylmethyl ester(2E)-2-Butenoic acid', 'Benzyl tiglate stabilized with 0.1% alpha-tocopherol', 'Q27264164'] |
From Pubchem