(1R,2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexanecarboxylate CAS Name: (1R,2R)-2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(piperonylcarbamoyl)cyclohexanecarboxylate Formula: C16H18NO5- MolecularWeight: 304.31782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C16H19NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-8-10-5-6-13-14(7-10)22-9-21-13/h5-7,11-12H,1-4,8-9H2,(H,17,18)(H,19,20)/p-1/t11-,12-/m1/s1