diethyl 2-[(1S,6R)-6-(dimethylaminomethyl)-3-methyl-cyclohex-2-en-1-yl]propanedioate

Systemtic Name: diethyl 2-[(1S,6R)-6-(dimethylaminomethyl)-3-methyl-cyclohex-2-en-1-yl]propanedioate Openeye Name: diethyl 2-[(1S,6R)-6-(dimethylaminomethyl)-3-methyl-cyclohex-2-en-1-yl]propanedioate CAS Name: 2-[(1S,6R)-6-(dimethylaminomethyl)-3-methyl-1-cyclohex-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S,6R)-6-(dimethylaminomethyl)-3-methylcyclohex-2-en-1-yl]propanedioate Traditional Name: 2-[(1S,6R)-6-(dimethylaminomethyl)-3-methyl-cyclohex-2-en-1-yl]malonic acid diethyl ester Formula: C17H29NO4 MolecularWeight: 311.41646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C=C(CCC1CN(C)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H]1C=C(CC[C@H]1CN(C)C)C)C(=O)OCC

InChI

InChI=1S/C17H29NO4/c1-6-21-16(19)15(17(20)22-7-2)14-10-12(3)8-9-13(14)11-18(4)5/h10,13-15H,6-9,11H2,1-5H3/t13-,14-/m0/s1