(1S,5S,6R)-6-(2-dimethylaminoethyloxycarbonyl)-3,5-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,5S,6R)-6-(2-dimethylaminoethyloxycarbonyl)-3,5-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,5S,6R)-6-(2-dimethylaminoethyloxycarbonyl)-3,5-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,5S,6R)-6-[2-dimethylaminoethyloxy(oxo)methyl]-3,5-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,5S,6R)-6-(2-dimethylaminoethyloxycarbonyl)-3,5-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,5S,6R)-6-(2-dimethylaminoethyloxycarbonyl)-3,5-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C14H23NO4 MolecularWeight: 269.33672

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(CC(C1C(=O)OCCN(C)C)C(=O)O)C

Isomeric SMILES

C[C@H]1C=C(C[C@@H]([C@@H]1C(=O)OCCN(C)C)C(=O)O)C

InChI

InChI=1S/C14H23NO4/c1-9-7-10(2)12(11(8-9)13(16)17)14(18)19-6-5-15(3)4/h7,10-12H,5-6,8H2,1-4H3,(H,16,17)/t10-,11-,12+/m0/s1