2-[3-(4-azanylbutyl)-2-(5-bromanyl-2-chloranyl-phenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(5-bromanyl-2-chloranyl-phenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(5-bromo-2-chloro-phenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(5-bromo-2-chlorophenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(5-bromo-2-chlorophenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(5-bromo-2-chloro-phenyl)-1H-indol-5-yl]acetic acid Formula: C20H20BrClN2O2 MolecularWeight: 435.742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC(=O)O)C(=C(N2)C3=C(C=CC(=C3)Br)Cl)CCCCN

Isomeric SMILES

C1=CC2=C(C=C1CC(=O)O)C(=C(N2)C3=C(C=CC(=C3)Br)Cl)CCCCN

InChI

InChI=1S/C20H20BrClN2O2/c21-13-5-6-17(22)16(11-13)20-14(3-1-2-8-23)15-9-12(10-19(25)26)4-7-18(15)24-20/h4-7,9,11,24H,1-3,8,10,23H2,(H,25,26)