2-(4-chlorophenyl)-8-[4-(hydroxymethyl)phenyl]-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-8-[4-(hydroxymethyl)phenyl]-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-8-[4-(hydroxymethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-hydroxy-8-[4-(hydroxymethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-8-[4-(hydroxymethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-8-(4-methylolphenyl)cinchoninic acid Formula: C23H16ClNO4 MolecularWeight: 405.83044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(N=C2C(=C1)C3=CC=C(C=C3)CO)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(N=C2C(=C1)C3=CC=C(C=C3)CO)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C23H16ClNO4/c24-16-10-8-15(9-11-16)20-22(27)19(23(28)29)18-3-1-2-17(21(18)25-20)14-6-4-13(12-26)5-7-14/h1-11,26-27H,12H2,(H,28,29)