2-(5-bromanyl-1H-indol-3-yl)-2-(4-ethanoylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-(4-ethanoylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-(5-bromo-1H-indol-3-yl)acetic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-2-(5-bromo-1H-indol-3-yl)acetic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-2-(5-bromo-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-acetylpiperazino)-2-(5-bromo-1H-indol-3-yl)acetic acid Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H18BrN3O3/c1-10(21)19-4-6-20(7-5-19)15(16(22)23)13-9-18-14-3-2-11(17)8-12(13)14/h2-3,8-9,15,18H,4-7H2,1H3,(H,22,23)