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

Systemtic Name: (1S,6R)-3,4-dimethyl-6-[[(4-propoxyphenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-3,4-dimethyl-6-[[(4-propoxybenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-3,4-dimethyl-6-[oxo-[[oxo-(4-propoxyphenyl)methyl]hydrazo]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-3,4-dimethyl-6-[[(4-propoxybenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-3,4-dimethyl-6-[[(4-propoxybenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O5 MolecularWeight: 374.43084

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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)/t16-,17+/m1/s1