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

Systemtic Name: 3-(carboxymethyl)-2-(1-methylindol-3-yl)quinoline-4-carboxylic acid Openeye Name: 3-(carboxymethyl)-2-(1-methylindol-3-yl)quinoline-4-carboxylic acid CAS Name: 3-(carboxymethyl)-2-(1-methyl-3-indolyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(carboxymethyl)-2-(1-methylindol-3-yl)quinoline-4-carboxylic acid Traditional Name: 3-(carboxymethyl)-2-(1-methylindol-3-yl)cinchoninic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C(=O)O

InChI

InChI=1S/C21H16N2O4/c1-23-11-15(12-6-3-5-9-17(12)23)20-14(10-18(24)25)19(21(26)27)13-7-2-4-8-16(13)22-20/h2-9,11H,10H2,1H3,(H,24,25)(H,26,27)