[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O4/c21-12-5-6-16-17(9-12)24(7-8-25)18(22-16)11-28-20(27)14-10-19(26)23-15-4-2-1-3-13(14)15/h1-6,9-10,25H,7-8,11H2,(H,23,26)