2-(6-bromanyl-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3-chlorophenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazino]acetic acid Formula: C20H19BrClN3O2 MolecularWeight: 448.74076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C20H19BrClN3O2/c21-13-4-5-16-17(12-23-18(16)10-13)19(20(26)27)25-8-6-24(7-9-25)15-3-1-2-14(22)11-15/h1-5,10-12,19,23H,6-9H2,(H,26,27)