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

Systemtic Name: (1S,6S)-3,4-dimethyl-6-(phenethylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-3,4-dimethyl-6-(phenethylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-3,4-dimethyl-6-[oxo-(phenethylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-3,4-dimethyl-6-(phenethylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-3,4-dimethyl-6-(phenethylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C18H22NO3- MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCCC2=CC=CC=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@H](C1)C(=O)NCCC2=CC=CC=C2)C(=O)[O-])C

InChI

InChI=1S/C18H23NO3/c1-12-10-15(16(18(21)22)11-13(12)2)17(20)19-9-8-14-6-4-3-5-7-14/h3-7,15-16H,8-11H2,1-2H3,(H,19,20)(H,21,22)/p-1/t15-,16-/m0/s1