methyl 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-(4-chlorophenyl)-2-(4-piperonyloylpiperazino)acetic acid methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21ClN2O5/c1-27-21(26)19(14-2-5-16(22)6-3-14)23-8-10-24(11-9-23)20(25)15-4-7-17-18(12-15)29-13-28-17/h2-7,12,19H,8-11,13H2,1H3