(1S,6R)-6-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C17H18NO5- MolecularWeight: 316.32852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-])C

InChI

InChI=1S/C17H19NO5/c1-9-5-12(13(17(20)21)6-10(9)2)16(19)18-11-3-4-14-15(7-11)23-8-22-14/h3-4,7,12-13H,5-6,8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t12-,13+/m1/s1