3-(carboxymethyl)-2-(1,2-dimethylindol-3-yl)quinoline-4-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-2-(1,2-dimethylindol-3-yl)quinoline-4-carboxylic acid Openeye Name: 3-(carboxymethyl)-2-(1,2-dimethylindol-3-yl)quinoline-4-carboxylic acid CAS Name: 3-(carboxymethyl)-2-(1,2-dimethyl-3-indolyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(carboxymethyl)-2-(1,2-dimethylindol-3-yl)quinoline-4-carboxylic acid Traditional Name: 3-(carboxymethyl)-2-(1,2-dimethylindol-3-yl)cinchoninic acid Formula: C22H18N2O4 MolecularWeight: 374.38932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C(=O)O

InChI

InChI=1S/C22H18N2O4/c1-12-19(14-8-4-6-10-17(14)24(12)2)21-15(11-18(25)26)20(22(27)28)13-7-3-5-9-16(13)23-21/h3-10H,11H2,1-2H3,(H,25,26)(H,27,28)