octan-2-yl 4-(4-pentylphenyl)cyclohexene-1-carboxylate

Systemtic Name: octan-2-yl 4-(4-pentylphenyl)cyclohexene-1-carboxylate Openeye Name: 1-methylheptyl 4-(4-pentylphenyl)cyclohexene-1-carboxylate CAS Name: 4-(4-pentylphenyl)-1-cyclohexenecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(4-pentylphenyl)cyclohexene-1-carboxylate Traditional Name: 4-(4-amylphenyl)cyclohexene-1-carboxylic acid 1-methylheptyl ester Formula: C26H40O2 MolecularWeight: 384.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CCC(CC1)C2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CCC(CC1)C2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C26H40O2/c1-4-6-8-10-11-21(3)28-26(27)25-19-17-24(18-20-25)23-15-13-22(14-16-23)12-9-7-5-2/h13-16,19,21,24H,4-12,17-18,20H2,1-3H3