[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)ethanoate

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)ethanoate Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4-phenylphenyl)acetate CAS Name: 2-(4-phenylphenyl)acetic acid [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 2-(4-phenylphenyl)acetate Traditional Name: 2-(4-phenylphenyl)acetic acid [2-keto-2-(4-piperonylpiperazino)ethyl] ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O5/c31-27(19-33-28(32)17-21-6-9-24(10-7-21)23-4-2-1-3-5-23)30-14-12-29(13-15-30)18-22-8-11-25-26(16-22)35-20-34-25/h1-11,16H,12-15,17-20H2