[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-butylbenzoate

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-butylbenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H24N2O2/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/h5-10,12-13,15-16,18H,2-4,11,14H2,1H3