[4-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(Z)-2-cyano-2-(2-pyridyl)vinyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(Z)-2-cyano-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(Z)-2-cyano-2-(2-pyridyl)vinyl]phenyl] ester Formula: C24H20N2O5 MolecularWeight: 416.426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=C(C#N)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C3=CC=CC=N3

InChI

InChI=1S/C24H20N2O5/c1-28-21-13-17(14-22(29-2)23(21)30-3)24(27)31-19-9-7-16(8-10-19)12-18(15-25)20-6-4-5-11-26-20/h4-14H,1-3H3/b18-12+