2-(1H-indol-3-ylmethyl)-3-oxidanyl-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-3-oxidanyl-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-isopropyl-quinoline-4-carboxylic acid CAS Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-isopropyl-cinchoninic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CNC4=CC=CC=C43)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CNC4=CC=CC=C43)O)C(=O)O

InChI

InChI=1S/C22H20N2O3/c1-12(2)14-7-5-8-16-19(22(26)27)21(25)18(24-20(14)16)10-13-11-23-17-9-4-3-6-15(13)17/h3-9,11-12,23,25H,10H2,1-2H3,(H,26,27)