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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-8-methyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-8-methyl-cinchoninic acid Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)CC3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C18H14ClNO3/c1-10-3-2-4-13-15(18(22)23)17(21)14(20-16(10)13)9-11-5-7-12(19)8-6-11/h2-8,21H,9H2,1H3,(H,22,23)