methyl 2-(1-oxidanidylpyridin-1-ium-3-yl)-2-[(2-phenylquinolin-4-yl)carbonylamino]ethanoate

Systemtic Name: methyl 2-(1-oxidanidylpyridin-1-ium-3-yl)-2-[(2-phenylquinolin-4-yl)carbonylamino]ethanoate Openeye Name: methyl 2-(1-oxidopyridin-1-ium-3-yl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate CAS Name: 2-(1-oxido-3-pyridin-1-iumyl)-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-(1-oxidopyridin-1-ium-3-yl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate Traditional Name: 2-(1-oxidopyridin-1-ium-3-yl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetic acid methyl ester Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C[N+](=CC=C1)[O-])NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C1=C[N+](=CC=C1)[O-])NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4/c1-31-24(29)22(17-10-7-13-27(30)15-17)26-23(28)19-14-21(16-8-3-2-4-9-16)25-20-12-6-5-11-18(19)20/h2-15,22H,1H3,(H,26,28)