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

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-hexylbenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H28N2O2/c1-2-3-4-5-6-21-11-14-24(15-12-21)27(30)31-26-18-17-25(29-20-26)16-13-22-7-9-23(19-28)10-8-22/h7-12,14-15,17-18,20H,2-6,13,16H2,1H3