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

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-butoxybenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H24N2O3/c1-2-3-16-29-23-13-9-21(10-14-23)25(28)30-24-15-12-22(27-18-24)11-8-19-4-6-20(17-26)7-5-19/h4-7,9-10,12-15,18H,2-3,8,11,16H2,1H3