| 2D Structure | |
| CID | 7797 |
| Target | CYP2C9 |
| IUPAC Name | ethyl heptanoate |
| InChI | InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3 |
| InChI Key | TVQGDYNRXLTQAP-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCC(=O)OCC |
| Isomeric SMILES | CCCCCCC(=O)OCC |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| synonyms | ['ETHYL HEPTANOATE', '106-30-9', 'Ethyl enanthate', 'Oenanthic ether', 'Ethyl heptoate', 'Ethyl heptylate', 'Ethyl oenanthate', 'Heptanoic acid, ethyl ester', 'Enanthylic ether', 'Aether oenanthicus', 'Ethyl oenanthylate', 'Ethyl n-heptanoate', 'Oleum vitis viniferae', 'HEPTANOIC ACID ETHYL ESTER', 'Ethyl enantate', 'Enanthic acid ethyl ester', 'FEMA No. 2437', 'NSC 8891', 'Ethyl Heptanoate(Heptanoic Acid Ethyl Ester)', 'MFCD00009538', 'Heptanoic acid-ethyl ester', 'DTXSID1040112', 'CHEBI:86618', '45R404Y5X8', 'Ethyl heptanoate (natural)', 'CCRIS 1344', 'EINECS 203-382-9', 'BRN 1752311', 'Ethylheptanoate', 'AI3-24251', 'UNII-45R404Y5X8', 'Ethyl heptoic acid', 'Ethyl heptanoic acid', 'Ethyl n-heptanoic acid', 'ETHYL N-HEPTOATE', 'bmse000550', 'SCHEMBL1585', 'Ethyl ester of heptanoic acid', 'ETHYL OENANTHATE [MI]', 'ETHYL HEPTANOATE [FCC]', 'ETHYL HEPTANOATE [FHFI]', 'CHEMBL3184220', 'DTXCID9020112', 'NSC8891', 'AAA10630', 'Tox21_300382', 'Ethyl heptanoate, analytical standard', 'hexane-6-carboxylic acid ethyl ester', 'LMFA07010984', 'AKOS015907945', 'CS-W010893', 'Ethyl heptanoate, >=98%, FCC, FG', 'HY-W010177', 'Ethyl heptanoate, natural, >=98%, FG', 'Ethyl heptanoate, ReagentPlus(R), 99%', 'NCGC00248014-01', 'NCGC00254287-01', 'CAS-106-30-9', 'DB-040684', 'Ethyl heptanoate, purum, >=96.0% (GC)', 'H0031', 'NS00012405', 'E75824', 'Ethyl heptanoate, Vetec(TM) reagent grade, 98%', 'A801415', 'Q419765'] |
From Pubchem