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

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic 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] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(4-piperonylpiperazino)ethyl] ester Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C25H32N2O6/c28-22(14-31-23(29)24-9-18-7-19(10-24)12-25(30,11-18)15-24)27-5-3-26(4-6-27)13-17-1-2-20-21(8-17)33-16-32-20/h1-2,8,18-19,30H,3-7,9-16H2