methyl 2-[(1S,3R)-3-(3-oxidanyl-7-phenyl-heptyl)cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1S,3R)-3-(3-oxidanyl-7-phenyl-heptyl)cyclohexyl]ethanoate Openeye Name: methyl 2-[(1S,3R)-3-(3-hydroxy-7-phenyl-heptyl)cyclohexyl]acetate CAS Name: 2-[(1S,3R)-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,3R)-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetate Traditional Name: 2-[(1S,3R)-3-(3-hydroxy-7-phenyl-heptyl)cyclohexyl]acetic acid methyl ester Formula: C22H34O3 MolecularWeight: 346.50356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCC(C1)CCC(CCCCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)C[C@H]1CCC[C@@H](C1)CCC(CCCCC2=CC=CC=C2)O

InChI

InChI=1S/C22H34O3/c1-25-22(24)17-20-12-7-11-19(16-20)14-15-21(23)13-6-5-10-18-8-3-2-4-9-18/h2-4,8-9,19-21,23H,5-7,10-17H2,1H3/t19-,20+,21?/m1/s1