6-chloranyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]quinoline-3-carboxylic acid Openeye Name: 2-[(1-carboxy-3-phenyl-propyl)amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]quinoline-3-carboxylic acid Traditional Name: 2-[(1-carboxy-3-phenyl-propyl)amino]-6-chloro-quinoline-3-carboxylic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C20H17ClN2O4/c21-14-7-9-16-13(10-14)11-15(19(24)25)18(22-16)23-17(20(26)27)8-6-12-4-2-1-3-5-12/h1-5,7,9-11,17H,6,8H2,(H,22,23)(H,24,25)(H,26,27)