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

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-pentoxybenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H26N2O3/c1-2-3-4-17-30-24-14-10-22(11-15-24)26(29)31-25-16-13-23(28-19-25)12-9-20-5-7-21(18-27)8-6-20/h5-8,10-11,13-16,19H,2-4,9,12,17H2,1H3