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

Systemtic Name: 3-(carboxymethyl)-2-(1H-indol-3-yl)quinoline-4-carboxylic acid Openeye Name: 3-(carboxymethyl)-2-(1H-indol-3-yl)quinoline-4-carboxylic acid CAS Name: 3-(carboxymethyl)-2-(1H-indol-3-yl)-4-quinolinecarboxylic acid IUPAC Name: 3-(carboxymethyl)-2-(1H-indol-3-yl)quinoline-4-carboxylic acid Traditional Name: 3-(carboxymethyl)-2-(1H-indol-3-yl)cinchoninic acid Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C(=O)O

InChI

InChI=1S/C20H14N2O4/c23-17(24)9-13-18(20(25)26)12-6-2-4-8-16(12)22-19(13)14-10-21-15-7-3-1-5-11(14)15/h1-8,10,21H,9H2,(H,23,24)(H,25,26)