butyl 4-[[2-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-3-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-3-yl]carbonylamino]benzoate Openeye Name: butyl 4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[2-oxo-1-(phenylmethyl)-1,8-naphthyridin-3-yl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-benzyl-2-keto-1,8-naphthyridine-3-carbonyl)amino]benzoic acid butyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-2-3-16-34-27(33)20-11-13-22(14-12-20)29-25(31)23-17-21-10-7-15-28-24(21)30(26(23)32)18-19-8-5-4-6-9-19/h4-15,17H,2-3,16,18H2,1H3,(H,29,31)