(1R,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(piperonylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C16H16NO5- MolecularWeight: 302.30194

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C16H17NO5/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/h1-2,5-7,11-12H,3-4,8-9H2,(H,17,18)(H,19,20)/p-1/t11-,12-/m1/s1