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

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-decoxybenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C31H36N2O3/c1-2-3-4-5-6-7-8-9-22-35-29-19-15-27(16-20-29)31(34)36-30-21-18-28(33-24-30)17-14-25-10-12-26(23-32)13-11-25/h10-13,15-16,18-21,24H,2-9,14,17,22H2,1H3