2-[4-(4-chloranyl-1-propan-2-yl-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-chloranyl-1-propan-2-yl-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-chloro-1-isopropyl-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(4-chloro-1-propan-2-yl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-chloro-1-isopropyl-pyrrole-2-carbonyl)piperazino]acetic acid Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)N2CCN(CC2)CC(=O)O)Cl

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)N2CCN(CC2)CC(=O)O)Cl

InChI

InChI=1S/C14H20ClN3O3/c1-10(2)18-8-11(15)7-12(18)14(21)17-5-3-16(4-6-17)9-13(19)20/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)