2-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-[3-(2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-[4-[3-(2-methylphenoxy)propanoyl]piperazino]acetic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)C(=O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)C(=O)C(=O)O

InChI

InChI=1S/C16H20N2O5/c1-12-4-2-3-5-13(12)23-11-6-14(19)17-7-9-18(10-8-17)15(20)16(21)22/h2-5H,6-11H2,1H3,(H,21,22)