3-(4-azanylbutyl)-2-(5-bromanyl-2-chloranyl-phenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanyl-2-chloranyl-phenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-chloro-phenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-chlorophenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromo-2-chlorophenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-chloro-phenyl)-1H-indole-5-carboxylic acid Formula: C19H18BrClN2O2 MolecularWeight: 421.71542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=C(N2)C3=C(C=CC(=C3)Br)Cl)CCCCN

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=C(N2)C3=C(C=CC(=C3)Br)Cl)CCCCN

InChI

InChI=1S/C19H18BrClN2O2/c20-12-5-6-16(21)15(10-12)18-13(3-1-2-8-22)14-9-11(19(24)25)4-7-17(14)23-18/h4-7,9-10,23H,1-3,8,22H2,(H,24,25)