6-bromanyl-2-(1H-indol-3-ylmethyl)-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(1H-indol-3-ylmethyl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-hydroxy-2-(1H-indol-3-ylmethyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-3-hydroxy-2-(1H-indol-3-ylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-hydroxy-2-(1H-indol-3-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-3-hydroxy-2-(1H-indol-3-ylmethyl)cinchoninic acid Formula: C19H13BrN2O3 MolecularWeight: 397.22212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3=C(C(=C4C=C(C=CC4=N3)Br)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=C(C(=C4C=C(C=CC4=N3)Br)C(=O)O)O

InChI

InChI=1S/C19H13BrN2O3/c20-11-5-6-15-13(8-11)17(19(24)25)18(23)16(22-15)7-10-9-21-14-4-2-1-3-12(10)14/h1-6,8-9,21,23H,7H2,(H,24,25)