2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazino]acetic acid Formula: C14H17BrN2O4 MolecularWeight: 357.19978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C14H17BrN2O4/c1-21-10-2-3-12(15)11(8-10)14(20)17-6-4-16(5-7-17)9-13(18)19/h2-3,8H,4-7,9H2,1H3,(H,18,19)