(1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-3,4-dimethyl-6-[oxo-(pentylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(amylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C15H24NO3- MolecularWeight: 266.35596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CC(=C(CC1C(=O)[O-])C)C

Isomeric SMILES

CCCCCNC(=O)[C@@H]1CC(=C(C[C@@H]1C(=O)[O-])C)C

InChI

InChI=1S/C15H25NO3/c1-4-5-6-7-16-14(17)12-8-10(2)11(3)9-13(12)15(18)19/h12-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)/p-1/t12-,13+/m1/s1