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

Systemtic Name: methyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chlorophenyl)acetate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: 2-(2-chlorophenyl)-2-(4-piperonylpiperazino)acetic acid methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23ClN2O4/c1-26-21(25)20(16-4-2-3-5-17(16)22)24-10-8-23(9-11-24)13-15-6-7-18-19(12-15)28-14-27-18/h2-7,12,20H,8-11,13-14H2,1H3