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

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-butylcyclohexane-1-carboxylate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H30N2O2/c1-2-3-4-19-9-12-22(13-10-19)25(28)29-24-16-15-23(27-18-24)14-11-20-5-7-21(17-26)8-6-20/h5-8,15-16,18-19,22H,2-4,9-14H2,1H3