methyl 4-[[2-(5-cyano-6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)carbonylphenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-(5-cyano-6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)carbonylphenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-(5-cyano-1-isopropyl-6-oxo-pyridine-3-carbonyl)phenoxy]methyl]benzoate CAS Name: 4-[[2-[(5-cyano-6-oxo-1-propan-2-yl-3-pyridinyl)-oxomethyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]methyl]benzoate Traditional Name: 4-[[2-(5-cyano-1-isopropyl-6-keto-nicotinoyl)phenoxy]methyl]benzoic acid methyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H22N2O5/c1-16(2)27-14-20(12-19(13-26)24(27)29)23(28)21-6-4-5-7-22(21)32-15-17-8-10-18(11-9-17)25(30)31-3/h4-12,14,16H,15H2,1-3H3