methyl 2-[[(1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-en-1-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[(1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-en-1-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[(1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carbonyl]amino]acetate CAS Name: 2-[[[(1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-1-cyclohex-3-enyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(1R,6S)-1-cyano-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carbonyl]amino]acetate Traditional Name: 2-[[(1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carbonyl]amino]acetic acid methyl ester Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CC=CC=C2)(C#N)C(=O)NCC(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@]([C@@H](C1)C2=CC=CC=C2)(C#N)C(=O)NCC(=O)OC)C

InChI

InChI=1S/C19H22N2O3/c1-13-9-16(15-7-5-4-6-8-15)19(12-20,10-14(13)2)18(23)21-11-17(22)24-3/h4-8,16H,9-11H2,1-3H3,(H,21,23)/t16-,19-/m0/s1