2-(4-chlorophenyl)-3-oxidanyl-8-(propan-2-ylcarbamoyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-3-oxidanyl-8-(propan-2-ylcarbamoyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-8-(isopropylcarbamoyl)quinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-hydroxy-8-[oxo-(propan-2-ylamino)methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-8-(propan-2-ylcarbamoyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-8-(isopropylcarbamoyl)cinchoninic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC2=C(C(=C(N=C21)C3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC2=C(C(=C(N=C21)C3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C20H17ClN2O4/c1-10(2)22-19(25)14-5-3-4-13-15(20(26)27)18(24)16(23-17(13)14)11-6-8-12(21)9-7-11/h3-10,24H,1-2H3,(H,22,25)(H,26,27)