2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-6-chloranyl-quinoline-3-carboxylic acid

Systemtic Name: 2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-6-chloranyl-quinoline-3-carboxylic acid Openeye Name: 2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-6-chloro-3-quinolinecarboxylic acid IUPAC Name: 2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-6-chloroquinoline-3-carboxylic acid Traditional Name: 2-[(2-amino-1-benzyl-2-keto-ethyl)amino]-6-chloro-quinoline-3-carboxylic acid Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3/c20-13-6-7-15-12(9-13)10-14(19(25)26)18(22-15)23-16(17(21)24)8-11-4-2-1-3-5-11/h1-7,9-10,16H,8H2,(H2,21,24)(H,22,23)(H,25,26)