2-[[1-[(3-cyanophenyl)methyl]-5-methoxy-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[(3-cyanophenyl)methyl]-5-methoxy-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(3-cyanophenyl)methyl]-2-hydroxy-5-methoxy-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(3-cyanophenyl)methyl]-2-hydroxy-5-methoxy-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(3-cyanophenyl)methyl]-2-hydroxy-5-methoxy-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(3-cyanobenzyl)-2-hydroxy-4-keto-5-methoxy-quinoline-3-carbonyl]amino]acetic acid Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C(=C(N2CC3=CC=CC(=C3)C#N)O)C(=O)NCC(=O)O

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C(=C(N2CC3=CC=CC(=C3)C#N)O)C(=O)NCC(=O)O

InChI

InChI=1S/C21H17N3O6/c1-30-15-7-3-6-14-17(15)19(27)18(20(28)23-10-16(25)26)21(29)24(14)11-13-5-2-4-12(8-13)9-22/h2-8,29H,10-11H2,1H3,(H,23,28)(H,25,26)