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

Systemtic Name: methyl 2-[[(1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-en-1-yl]carbonyl-(phenylmethyl)amino]ethanoate Openeye Name: methyl 2-[benzyl-[(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]-(phenylmethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[benzyl-[(1R,6S)-1-cyano-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carbonyl]amino]acetate Traditional Name: 2-[benzyl-[(1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carbonyl]amino]acetic acid methyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CC=CC=C2)(C#N)C(=O)N(CC3=CC=CC=C3)CC(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@]([C@@H](C1)C2=CC=CC=C2)(C#N)C(=O)N(CC3=CC=CC=C3)CC(=O)OC)C

InChI

InChI=1S/C26H28N2O3/c1-19-14-23(22-12-8-5-9-13-22)26(18-27,15-20(19)2)25(30)28(17-24(29)31-3)16-21-10-6-4-7-11-21/h4-13,23H,14-17H2,1-3H3/t23-,26-/m0/s1