2-[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-bromo-4-methoxy-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-bromo-4-methoxy-benzoyl)piperazino]acetic acid Formula: C14H17BrN2O4 MolecularWeight: 357.19978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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