2-[[5,6-dimethoxy-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[5,6-dimethoxy-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1-benzyl-2-hydroxy-5,6-dimethoxy-4-oxo-quinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[[2-hydroxy-5,6-dimethoxy-4-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-benzyl-2-hydroxy-5,6-dimethoxy-4-oxoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-benzyl-2-hydroxy-4-keto-5,6-dimethoxy-quinoline-3-carbonyl)amino]acetic acid Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)NCC(=O)O)O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)NCC(=O)O)O)CC3=CC=CC=C3)OC

InChI

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