(1S,2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(4-piperonylpiperazine-1-carbonyl)cyclohexanecarboxylate Formula: C20H25N2O5- MolecularWeight: 373.4229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)[O-]

InChI

InChI=1S/C20H26N2O5/c23-19(15-3-1-2-4-16(15)20(24)25)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)27-13-26-17/h5-6,11,15-16H,1-4,7-10,12-13H2,(H,24,25)/p-1/t15-,16+/m1/s1