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

Systemtic Name: 6-chloranyl-2-[[3-(3-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[2-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[1-hydroxy-3-(3-methoxyphenyl)-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[1-hydroxy-3-(3-methoxyphenyl)-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[(2-hydroxy-2-keto-1-m-anisyl-ethyl)amino]quinoline-3-carboxylic acid Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C20H17ClN2O5/c1-28-14-4-2-3-11(7-14)8-17(20(26)27)23-18-15(19(24)25)10-12-9-13(21)5-6-16(12)22-18/h2-7,9-10,17H,8H2,1H3,(H,22,23)(H,24,25)(H,26,27)