(1S,6R)-3,4-dimethyl-6-[[(4-propoxyphenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-3,4-dimethyl-6-[[(4-propoxyphenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-3,4-dimethyl-6-[[(4-propoxybenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-3,4-dimethyl-6-[oxo-[[oxo-(4-propoxyphenyl)methyl]hydrazo]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-3,4-dimethyl-6-[[(4-propoxybenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-3,4-dimethyl-6-[[(4-propoxybenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H25N2O5- MolecularWeight: 373.4229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2CC(=C(CC2C(=O)[O-])C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NNC(=O)[C@@H]2CC(=C(C[C@@H]2C(=O)[O-])C)C

InChI

InChI=1S/C20H26N2O5/c1-4-9-27-15-7-5-14(6-8-15)18(23)21-22-19(24)16-10-12(2)13(3)11-17(16)20(25)26/h5-8,16-17H,4,9-11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/p-1/t16-,17+/m1/s1