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

Systemtic Name: (1R,6S)-6-(cyclododecylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-(cyclododecylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(cyclododecylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-(cyclododecylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(cyclododecylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C22H36NO3- MolecularWeight: 362.52614

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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)/p-1/t19-,20+/m0/s1