3-[4-[2-(2-methylphenoxy)ethanoyl]piperazin-1-yl]benzoate

Systemtic Name: 3-[4-[2-(2-methylphenoxy)ethanoyl]piperazin-1-yl]benzoate Openeye Name: 3-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]benzoate CAS Name: 3-[4-[2-(2-methylphenoxy)-1-oxoethyl]-1-piperazinyl]benzoate IUPAC Name: 3-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]benzoate Traditional Name: 3-[4-[2-(2-methylphenoxy)acetyl]piperazino]benzoate Formula: C20H21N2O4- MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-15-5-2-3-8-18(15)26-14-19(23)22-11-9-21(10-12-22)17-7-4-6-16(13-17)20(24)25/h2-8,13H,9-12,14H2,1H3,(H,24,25)/p-1