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

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-methylallyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-methylallyl)piperazino]acetic acid Formula: C18H22BrN3O2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C18H22BrN3O2/c1-12(2)11-21-5-7-22(8-6-21)17(18(23)24)15-10-20-16-9-13(19)3-4-14(15)16/h3-4,9-10,17,20H,1,5-8,11H2,2H3,(H,23,24)