[2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-octylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-octylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-octylcyclohexyl)benzoate CAS Name: 4-(4-octylcyclohexyl)benzoic acid [2-cyano-4-(1-methyl-1-cyclohexa-2,4-dienyl)phenyl] ester IUPAC Name: [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-octylcyclohexyl)benzoate Traditional Name: 4-(4-octylcyclohexyl)benzoic acid [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] ester Formula: C35H43NO2 MolecularWeight: 509.72142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C4(CC=CC=C4)C)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C4(CC=CC=C4)C)C#N

InChI

InChI=1S/C35H43NO2/c1-3-4-5-6-7-9-12-27-13-15-28(16-14-27)29-17-19-30(20-18-29)34(37)38-33-22-21-32(25-31(33)26-36)35(2)23-10-8-11-24-35/h8,10-11,17-23,25,27-28H,3-7,9,12-16,24H2,1-2H3