octan-2-yl 4-[4-(2-cyclohexylethyl)phenyl]benzoate

Systemtic Name: octan-2-yl 4-[4-(2-cyclohexylethyl)phenyl]benzoate Openeye Name: 1-methylheptyl 4-[4-(2-cyclohexylethyl)phenyl]benzoate CAS Name: 4-[4-(2-cyclohexylethyl)phenyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-(2-cyclohexylethyl)phenyl]benzoate Traditional Name: 4-[4-(2-cyclohexylethyl)phenyl]benzoic acid 1-methylheptyl ester Formula: C29H40O2 MolecularWeight: 420.6267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CCC3CCCCC3

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CCC3CCCCC3

InChI

InChI=1S/C29H40O2/c1-3-4-5-7-10-23(2)31-29(30)28-21-19-27(20-22-28)26-17-15-25(16-18-26)14-13-24-11-8-6-9-12-24/h15-24H,3-14H2,1-2H3