2-[4-[3-(2-bromanyl-4-methyl-phenoxy)propanoyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-[3-(2-bromanyl-4-methyl-phenoxy)propanoyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(2-bromo-4-methyl-phenoxy)propanoyl]piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-[3-(2-bromo-4-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(2-bromo-4-methylphenoxy)propanoyl]piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-[4-[3-(2-bromo-4-methyl-phenoxy)propanoyl]piperazino]-2-keto-acetic acid Formula: C16H19BrN2O5 MolecularWeight: 399.23646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)C(=O)O)Br

InChI

InChI=1S/C16H19BrN2O5/c1-11-2-3-13(12(17)10-11)24-9-4-14(20)18-5-7-19(8-6-18)15(21)16(22)23/h2-3,10H,4-9H2,1H3,(H,22,23)