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

Systemtic Name: (phenylmethyl) 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H30N2O4/c28-25(29-17-19-4-2-1-3-5-19)27-14-12-26(13-15-27)22-9-6-20(7-10-22)21-8-11-23-24(16-21)31-18-30-23/h1-5,8,11,16,20,22H,6-7,9-10,12-15,17-18H2