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

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3,4-dichlorophenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(3,4-dichlorophenyl)piperazino]acetic acid Formula: C20H18BrCl2N3O2 MolecularWeight: 483.18582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrCl2N3O2/c21-12-1-3-14-15(11-24-18(14)9-12)19(20(27)28)26-7-5-25(6-8-26)13-2-4-16(22)17(23)10-13/h1-4,9-11,19,24H,5-8H2,(H,27,28)