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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C3=NC4=CC=CC=C4C(=C3CC(=O)O)C(=O)O

InChI

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