3-(4-azanylbutyl)-2-(5-bromanyl-2-chloranyl-phenyl)-7-chloranyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanyl-2-chloranyl-phenyl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-chloro-phenyl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-chlorophenyl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromo-2-chlorophenyl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-chloro-phenyl)-7-chloro-1H-indole-4-carboxylic acid Formula: C19H17BrCl2N2O2 MolecularWeight: 456.16048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN)Cl

InChI

InChI=1S/C19H17BrCl2N2O2/c20-10-4-6-14(21)13(9-10)17-11(3-1-2-8-23)16-12(19(25)26)5-7-15(22)18(16)24-17/h4-7,9,24H,1-3,8,23H2,(H,25,26)