(phenylmethyl) 4-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-cyclohexyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-cyclohexyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-cyclohexyl]piperazine-1-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-cyclohexyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)C(=O)OCC3=CC=CC=C3)(C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)C(=O)OCC3=CC=CC=C3)(C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H30N2O5/c28-24(30-17-19-4-2-1-3-5-19)27-14-12-26(13-15-27)21-8-10-25(29,11-9-21)20-6-7-22-23(16-20)32-18-31-22/h1-7,16,21,29H,8-15,17-18H2