(1S,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-methyl-6-(piperonylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C17H18NO5- MolecularWeight: 316.32852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CC1=CC[C@@H]([C@@H](C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C17H19NO5/c1-10-2-4-12(17(20)21)13(6-10)16(19)18-8-11-3-5-14-15(7-11)23-9-22-14/h2-3,5,7,12-13H,4,6,8-9H2,1H3,(H,18,19)(H,20,21)/p-1/t12-,13+/m0/s1