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

Systemtic Name: 3-(2-carboxyethyl)-2-(1-methylindol-3-yl)quinoline-4-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-2-(1-methylindol-3-yl)quinoline-4-carboxylic acid CAS Name: 3-(2-carboxyethyl)-2-(1-methyl-3-indolyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-2-(1-methylindol-3-yl)quinoline-4-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-2-(1-methylindol-3-yl)cinchoninic acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3CCC(=O)O)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H18N2O4/c1-24-12-16(13-6-3-5-9-18(13)24)21-15(10-11-19(25)26)20(22(27)28)14-7-2-4-8-17(14)23-21/h2-9,12H,10-11H2,1H3,(H,25,26)(H,27,28)