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

Systemtic Name: methyl 2-[(3-methoxy-2-phenyl-quinolin-4-yl)carbonylamino]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethanoate Openeye Name: methyl 2-[(3-methoxy-2-phenyl-quinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-4-yl)acetate CAS Name: 2-[[(3-methoxy-2-phenyl-4-quinolinyl)-oxomethyl]amino]-2-(1-oxido-4-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-[(3-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-4-yl)acetate Traditional Name: 2-[(3-methoxy-2-phenyl-quinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-4-yl)acetic acid methyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4=CC=[N+](C=C4)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4=CC=[N+](C=C4)[O-])C(=O)OC

InChI

InChI=1S/C25H21N3O5/c1-32-23-20(24(29)27-22(25(30)33-2)17-12-14-28(31)15-13-17)18-10-6-7-11-19(18)26-21(23)16-8-4-3-5-9-16/h3-15,22H,1-2H3,(H,27,29)