3-(4-azanylbutyl)-2-(5-bromanylthiophen-2-yl)-7-chloranyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanylthiophen-2-yl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-thienyl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-thiophenyl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromothiophen-2-yl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-thienyl)-7-chloro-1H-indole-4-carboxylic acid Formula: C17H16BrClN2O2S MolecularWeight: 427.74314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1C(=O)O)C(=C(N2)C3=CC=C(S3)Br)CCCCN)Cl

Isomeric SMILES

C1=CC(=C2C(=C1C(=O)O)C(=C(N2)C3=CC=C(S3)Br)CCCCN)Cl

InChI

InChI=1S/C17H16BrClN2O2S/c18-13-7-6-12(24-13)15-9(3-1-2-8-20)14-10(17(22)23)4-5-11(19)16(14)21-15/h4-7,21H,1-3,8,20H2,(H,22,23)