2-[(4-chlorophenyl)methyl]-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-7,8-dimethyl-cinchoninic acid Formula: C19H16ClNO3 MolecularWeight: 341.78824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H16ClNO3/c1-10-3-8-14-16(19(23)24)18(22)15(21-17(14)11(10)2)9-12-4-6-13(20)7-5-12/h3-8,22H,9H2,1-2H3,(H,23,24)