2-[4-(4-bromanyl-1-cyclopropyl-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-bromanyl-1-cyclopropyl-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-bromo-1-cyclopropyl-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(4-bromo-1-cyclopropyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-bromo-1-cyclopropyl-pyrrole-2-carbonyl)piperazino]acetic acid Formula: C14H18BrN3O3 MolecularWeight: 356.21502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C=C2C(=O)N3CCN(CC3)CC(=O)O)Br

Isomeric SMILES

C1CC1N2C=C(C=C2C(=O)N3CCN(CC3)CC(=O)O)Br

InChI

InChI=1S/C14H18BrN3O3/c15-10-7-12(18(8-10)11-1-2-11)14(21)17-5-3-16(4-6-17)9-13(19)20/h7-8,11H,1-6,9H2,(H,19,20)