3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-2-propyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-2-propyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-2-propyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-2-propyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-2-propylquinoline-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-6-methyl-2-propyl-cinchoninic acid Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=C(C=CC2=N1)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C=C(C=CC2=N1)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H25NO4/c1-3-6-24-23(26(28(32)33)22-15-17(2)9-14-25(22)29-24)16-18-10-12-19(13-11-18)20-7-4-5-8-21(20)27(30)31/h4-5,7-15H,3,6,16H2,1-2H3,(H,30,31)(H,32,33)