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

Systemtic Name: [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-decylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] 4-(4-decylcyclohexyl)benzoate CAS Name: 4-(4-decylcyclohexyl)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-decylcyclohexyl)benzoate Traditional Name: 4-(4-decylcyclohexyl)benzoic acid [2-cyano-4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl] ester Formula: C37H47NO2 MolecularWeight: 537.77458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C4(CC=CC=C4)C)C#N

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C4(CC=CC=C4)C)C#N

InChI

InChI=1S/C37H47NO2/c1-3-4-5-6-7-8-9-11-14-29-15-17-30(18-16-29)31-19-21-32(22-20-31)36(39)40-35-24-23-34(27-33(35)28-38)37(2)25-12-10-13-26-37/h10,12-13,19-25,27,29-30H,3-9,11,14-18,26H2,1-2H3