methyl (2S)-2-[[3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxidanylidene-4-(trifluoromethyl)pyridin-2-yl]phenoxy]phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxidanylidene-4-(trifluoromethyl)pyridin-2-yl]phenoxy]phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridyl]phenoxy]benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenoxy]phenyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)pyridin-2-yl]phenoxy]benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-[4-[5-cyano-1-(2,4-dimethylbenzyl)-6-keto-4-(trifluoromethyl)-2-pyridyl]phenoxy]benzoyl]amino]-3-methyl-butyric acid methyl ester Formula: C35H32F3N3O5 MolecularWeight: 631.64089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3=CC=C(C=C3)OC4=CC=CC(=C4)C(=O)NC(C(C)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3=CC=C(C=C3)OC4=CC=CC(=C4)C(=O)N[C@@H](C(C)C)C(=O)OC)C

InChI

InChI=1S/C35H32F3N3O5/c1-20(2)31(34(44)45-5)40-32(42)24-7-6-8-27(16-24)46-26-13-11-23(12-14-26)30-17-29(35(36,37)38)28(18-39)33(43)41(30)19-25-10-9-21(3)15-22(25)4/h6-17,20,31H,19H2,1-5H3,(H,40,42)/t31-/m0/s1