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

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-heptoxybenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H30N2O3/c1-2-3-4-5-6-19-32-26-16-12-24(13-17-26)28(31)33-27-18-15-25(30-21-27)14-11-22-7-9-23(20-29)10-8-22/h7-10,12-13,15-18,21H,2-6,11,14,19H2,1H3