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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

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