2-[2-(4-cyano-6,7-dimethoxy-2-oxidanylidene-quinolin-1-yl)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(4-cyano-6,7-dimethoxy-2-oxidanylidene-quinolin-1-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(4-cyano-6,7-dimethoxy-2-oxo-1-quinolyl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(4-cyano-6,7-dimethoxy-2-oxo-1-quinolinyl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(4-cyano-6,7-dimethoxy-2-oxoquinolin-1-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(4-cyano-2-keto-6,7-dimethoxy-1-quinolyl)acetyl]amino]-3-phenyl-propionic acid Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=O)N2CC(=O)NC(CC3=CC=CC=C3)C(=O)O)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=O)N2CC(=O)NC(CC3=CC=CC=C3)C(=O)O)C#N)OC

InChI

InChI=1S/C23H21N3O6/c1-31-19-10-16-15(12-24)9-22(28)26(18(16)11-20(19)32-2)13-21(27)25-17(23(29)30)8-14-6-4-3-5-7-14/h3-7,9-11,17H,8,13H2,1-2H3,(H,25,27)(H,29,30)