2-[[6,7-dimethoxy-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6,7-dimethoxy-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1-benzyl-2-hydroxy-6,7-dimethoxy-4-oxo-quinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[[2-hydroxy-6,7-dimethoxy-4-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-benzyl-2-hydroxy-6,7-dimethoxy-4-oxoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-benzyl-2-hydroxy-4-keto-6,7-dimethoxy-quinoline-3-carbonyl)amino]acetic acid Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(N2CC3=CC=CC=C3)O)C(=O)NCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=C(N2CC3=CC=CC=C3)O)C(=O)NCC(=O)O)OC

InChI

InChI=1S/C21H20N2O7/c1-29-15-8-13-14(9-16(15)30-2)23(11-12-6-4-3-5-7-12)21(28)18(19(13)26)20(27)22-10-17(24)25/h3-9,28H,10-11H2,1-2H3,(H,22,27)(H,24,25)