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

Systemtic Name: methyl 2-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-2-(1-oxidanidylpyridin-1-ium-3-yl)ethanoate Openeye Name: methyl 2-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-3-yl)acetate CAS Name: 2-[[(3-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-2-(1-oxido-3-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-3-yl)acetate Traditional Name: 2-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-3-yl)acetic acid methyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4=C[N+](=CC=C4)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4=C[N+](=CC=C4)[O-])C(=O)OC

InChI

InChI=1S/C25H21N3O4/c1-16-21(24(29)27-23(25(30)32-2)18-11-8-14-28(31)15-18)19-12-6-7-13-20(19)26-22(16)17-9-4-3-5-10-17/h3-15,23H,1-2H3,(H,27,29)