ethyl (1R,6R)-6-(3,5-dimethylpyrazol-1-yl)carbonyl-3-methoxy-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1R,6R)-6-(3,5-dimethylpyrazol-1-yl)carbonyl-3-methoxy-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,6R)-6-(3,5-dimethylpyrazole-1-carbonyl)-3-methoxy-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-3-methoxy-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,6R)-6-(3,5-dimethylpyrazole-1-carbonyl)-3-methoxycyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(3,5-dimethylpyrazole-1-carbonyl)-3-methoxy-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=CCC1C(=O)N2C(=CC(=N2)C)C)OC

Isomeric SMILES

CCOC(=O)[C@@H]1CC(=CC[C@H]1C(=O)N2C(=CC(=N2)C)C)OC

InChI

InChI=1S/C16H22N2O4/c1-5-22-16(20)14-9-12(21-4)6-7-13(14)15(19)18-11(3)8-10(2)17-18/h6,8,13-14H,5,7,9H2,1-4H3/t13-,14-/m1/s1