2-(1H-indol-3-ylmethyl)-7-methyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-7-methyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-7-methyl-quinoline-4-carboxylic acid CAS Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-7-methyl-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-7-methylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-7-methyl-cinchoninic acid Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H16N2O3/c1-11-6-7-14-16(8-11)22-17(19(23)18(14)20(24)25)9-12-10-21-15-5-3-2-4-13(12)15/h2-8,10,21,23H,9H2,1H3,(H,24,25)