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

Systemtic Name: 6-chloranyl-2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 2-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 2-[[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-6-chloro-quinoline-3-carboxylic acid Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C20H18ClN3O3/c1-22-19(25)17(9-12-5-3-2-4-6-12)24-18-15(20(26)27)11-13-10-14(21)7-8-16(13)23-18/h2-8,10-11,17H,9H2,1H3,(H,22,25)(H,23,24)(H,26,27)