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

Systemtic Name: 6-chloranyl-2-[[(2S)-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 2-[[(1S)-1-benzyl-2-(2-hydroxyethylamino)-2-oxo-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 2-[[(1S)-1-benzyl-2-(2-hydroxyethylamino)-2-keto-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCO)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C21H20ClN3O4/c22-15-6-7-17-14(11-15)12-16(21(28)29)19(24-17)25-18(20(27)23-8-9-26)10-13-4-2-1-3-5-13/h1-7,11-12,18,26H,8-10H2,(H,23,27)(H,24,25)(H,28,29)/t18-/m0/s1