2-[(3-carboxy-6-chloranyl-quinolin-2-yl)amino]-3-phenyl-butanedioic acid

Systemtic Name: 2-[(3-carboxy-6-chloranyl-quinolin-2-yl)amino]-3-phenyl-butanedioic acid Openeye Name: 2-[(3-carboxy-6-chloro-2-quinolyl)amino]-3-phenyl-butanedioic acid CAS Name: 2-[(3-carboxy-6-chloro-2-quinolinyl)amino]-3-phenylbutanedioic acid IUPAC Name: 2-[(3-carboxy-6-chloroquinolin-2-yl)amino]-3-phenylbutanedioic acid Traditional Name: 2-[(3-carboxy-6-chloro-2-quinolyl)amino]-3-phenyl-succinic acid Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O6/c21-12-6-7-14-11(8-12)9-13(18(24)25)17(22-14)23-16(20(28)29)15(19(26)27)10-4-2-1-3-5-10/h1-9,15-16H,(H,22,23)(H,24,25)(H,26,27)(H,28,29)