phenyl 4-[4-(2-methylbutyl)cyclohexen-1-yl]octanoate

Systemtic Name: phenyl 4-[4-(2-methylbutyl)cyclohexen-1-yl]octanoate Openeye Name: phenyl 4-[4-(2-methylbutyl)cyclohexen-1-yl]octanoate CAS Name: 4-[4-(2-methylbutyl)-1-cyclohexenyl]octanoic acid phenyl ester IUPAC Name: phenyl 4-[4-(2-methylbutyl)cyclohexen-1-yl]octanoate Traditional Name: 4-[4-(2-methylbutyl)cyclohexen-1-yl]caprylic acid phenyl ester Formula: C25H38O2 MolecularWeight: 370.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)OC1=CC=CC=C1)C2=CCC(CC2)CC(C)CC

Isomeric SMILES

CCCCC(CCC(=O)OC1=CC=CC=C1)C2=CCC(CC2)CC(C)CC

InChI

InChI=1S/C25H38O2/c1-4-6-10-22(17-18-25(26)27-24-11-8-7-9-12-24)23-15-13-21(14-16-23)19-20(3)5-2/h7-9,11-12,15,20-22H,4-6,10,13-14,16-19H2,1-3H3