butyl 4-[[1-[(2-methylphenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[(2-methylphenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(o-tolylmethyl)-6-oxo-pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(2-methylphenyl)methyl]-6-oxo-3-pyridinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[6-keto-1-(2-methylbenzyl)nicotinoyl]amino]benzoic acid butyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C25H26N2O4/c1-3-4-15-31-25(30)19-9-12-22(13-10-19)26-24(29)21-11-14-23(28)27(17-21)16-20-8-6-5-7-18(20)2/h5-14,17H,3-4,15-16H2,1-2H3,(H,26,29)