3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propylquinoline-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-2-propyl-cinchoninic acid Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)O

InChI

InChI=1S/C27H23NO4/c1-2-7-23-22(25(27(31)32)21-10-5-6-11-24(21)28-23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)26(29)30/h3-6,8-15H,2,7,16H2,1H3,(H,29,30)(H,31,32)