methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-(4-piperonylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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