(1S,6R)-6-(cyclododecylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-(cyclododecylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-(cyclododecylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(cyclododecylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(cyclododecylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(cyclododecylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C22H37NO3 MolecularWeight: 363.53408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2CCCCCCCCCCC2)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2CCCCCCCCCCC2)C(=O)O)C

InChI

InChI=1S/C22H37NO3/c1-16-14-19(20(22(25)26)15-17(16)2)21(24)23-18-12-10-8-6-4-3-5-7-9-11-13-18/h18-20H,3-15H2,1-2H3,(H,23,24)(H,25,26)/t19-,20+/m1/s1