[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-decylcyclohexane-1-carboxylate

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-decylcyclohexane-1-carboxylate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-decylcyclohexanecarboxylate CAS Name: 4-decyl-1-cyclohexanecarboxylic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-decylcyclohexane-1-carboxylate Traditional Name: 4-decylcyclohexanecarboxylic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C31H42N2O2 MolecularWeight: 474.67738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C31H42N2O2/c1-2-3-4-5-6-7-8-9-10-25-15-18-28(19-16-25)31(34)35-30-22-21-29(33-24-30)20-17-26-11-13-27(23-32)14-12-26/h11-14,21-22,24-25,28H,2-10,15-20H2,1H3