(1S,6S)-6-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(homopiperonylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C17H18NO5- MolecularWeight: 316.32852

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C17H19NO5/c19-16(12-3-1-2-4-13(12)17(20)21)18-8-7-11-5-6-14-15(9-11)23-10-22-14/h1-2,5-6,9,12-13H,3-4,7-8,10H2,(H,18,19)(H,20,21)/p-1/t12-,13-/m0/s1