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

Systemtic Name: 3-[4-[2-(2-methylphenoxy)ethanoyl]piperazin-1-yl]carbonylbenzoate Openeye Name: 3-[4-[2-(2-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-[2-(2-methylphenoxy)-1-oxoethyl]-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 3-[4-[2-(2-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-[2-(2-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoate Formula: C21H21N2O5- MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-15-5-2-3-8-18(15)28-14-19(24)22-9-11-23(12-10-22)20(25)16-6-4-7-17(13-16)21(26)27/h2-8,13H,9-12,14H2,1H3,(H,26,27)/p-1