2-(5-bromanyl-1H-indol-3-yl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-chlorobenzyl)piperazino]acetic acid Formula: C21H21BrClN3O2 MolecularWeight: 462.76734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H21BrClN3O2/c22-15-4-5-19-17(11-15)18(12-24-19)20(21(27)28)26-8-6-25(7-9-26)13-14-2-1-3-16(23)10-14/h1-5,10-12,20,24H,6-9,13H2,(H,27,28)