2-(2-carboxyphenyl)-6-methyl-quinoline-4-carboxylic acid; 2-(2-carboxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(2-carboxyphenyl)-6-methyl-quinoline-4-carboxylic acid; 2-(2-carboxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(2-carboxyphenyl)-6-methyl-quinoline-4-carboxylic acid; 2-(2-carboxyphenyl)quinoline-4-carboxylic acid CAS Name: 2-(2-carboxyphenyl)-6-methyl-4-quinolinecarboxylic acid; 2-(2-carboxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid; 2-(2-carboxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(2-carboxyphenyl)cinchoninic acid; 2-(2-carboxyphenyl)-6-methyl-cinchoninic acid Formula: C35H24N2O8 MolecularWeight: 600.57366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3C(=O)O.C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3C(=O)O.C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13NO4.C17H11NO4/c1-10-6-7-15-13(8-10)14(18(22)23)9-16(19-15)11-4-2-3-5-12(11)17(20)21;19-16(20)12-7-2-1-5-10(12)15-9-13(17(21)22)11-6-3-4-8-14(11)18-15/h2-9H,1H3,(H,20,21)(H,22,23);1-9H,(H,19,20)(H,21,22)