7-bromanyl-2-(1H-indol-3-ylmethyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 7-bromanyl-2-(1H-indol-3-ylmethyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 7-bromo-3-hydroxy-2-(1H-indol-3-ylmethyl)quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 7-bromo-3-hydroxy-2-(1H-indol-3-ylmethyl)-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 7-bromo-3-hydroxy-2-(1H-indol-3-ylmethyl)quinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 7-bromo-3-hydroxy-2-(1H-indol-3-ylmethyl)cinchoninic acid; triethylamine Formula: C25H28BrN3O3 MolecularWeight: 498.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O3.C6H15N/c20-11-5-6-13-15(8-11)22-16(18(23)17(13)19(24)25)7-10-9-21-14-4-2-1-3-12(10)14;1-4-7(5-2)6-3/h1-6,8-9,21,23H,7H2,(H,24,25);4-6H2,1-3H3