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

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-heptylbenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H30N2O2/c1-2-3-4-5-6-7-22-12-15-25(16-13-22)28(31)32-27-19-18-26(30-21-27)17-14-23-8-10-24(20-29)11-9-23/h8-13,15-16,18-19,21H,2-7,14,17H2,1H3