3-(2-carboxyethyl)-2-(1H-indol-3-yl)quinoline-4-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-2-(1H-indol-3-yl)quinoline-4-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-2-(1H-indol-3-yl)quinoline-4-carboxylic acid CAS Name: 3-(2-carboxyethyl)-2-(1H-indol-3-yl)-4-quinolinecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-2-(1H-indol-3-yl)quinoline-4-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-2-(1H-indol-3-yl)cinchoninic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4C(=C3CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4C(=C3CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H16N2O4/c24-18(25)10-9-14-19(21(26)27)13-6-2-4-8-17(13)23-20(14)15-11-22-16-7-3-1-5-12(15)16/h1-8,11,22H,9-10H2,(H,24,25)(H,26,27)