(1R,6S)-6-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-[(piperonyloylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-9-5-12(13(18(23)24)6-10(9)2)17(22)20-19-16(21)11-3-4-14-15(7-11)26-8-25-14/h3-4,7,12-13H,5-6,8H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t12-,13+/m0/s1