6-[(4-carboxy-3-methyl-2-phenyl-quinolin-6-yl)methyl]-3-methyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 6-[(4-carboxy-3-methyl-2-phenyl-quinolin-6-yl)methyl]-3-methyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-[(4-carboxy-3-methyl-2-phenyl-6-quinolyl)methyl]-3-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-[(4-carboxy-3-methyl-2-phenyl-6-quinolinyl)methyl]-3-methyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-carboxy-3-methyl-2-phenylquinolin-6-yl)methyl]-3-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-[(4-carboxy-3-methyl-2-phenyl-6-quinolyl)methyl]-3-methyl-2-phenyl-cinchoninic acid Formula: C35H26N2O4 MolecularWeight: 538.59194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)CC3=CC4=C(C(=C(N=C4C=C3)C5=CC=CC=C5)C)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)CC3=CC4=C(C(=C(N=C4C=C3)C5=CC=CC=C5)C)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C35H26N2O4/c1-20-30(34(38)39)26-18-22(13-15-28(26)36-32(20)24-9-5-3-6-10-24)17-23-14-16-29-27(19-23)31(35(40)41)21(2)33(37-29)25-11-7-4-8-12-25/h3-16,18-19H,17H2,1-2H3,(H,38,39)(H,40,41)