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

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-pentylbenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H26N2O2/c1-2-3-4-5-20-10-13-23(14-11-20)26(29)30-25-17-16-24(28-19-25)15-12-21-6-8-22(18-27)9-7-21/h6-11,13-14,16-17,19H,2-5,12,15H2,1H3