methyl (4S)-1-cyclohexyl-4-[(3-methoxyphenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-1-cyclohexyl-4-[(3-methoxyphenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-cyclohexyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-cyclohexyl-4-[[(3-methoxyphenyl)-oxomethyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-cyclohexyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-cyclohexyl-5-keto-4-(m-anisoylamino)-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H25F3N2O5 MolecularWeight: 454.43951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C2CCCCC2)(C(F)(F)F)NC(=O)C3=CC(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1C2CCCCC2)(C(F)(F)F)NC(=O)C3=CC(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C22H25F3N2O5/c1-13-17(19(29)32-3)21(22(23,24)25,20(30)27(13)15-9-5-4-6-10-15)26-18(28)14-8-7-11-16(12-14)31-2/h7-8,11-12,15H,4-6,9-10H2,1-3H3,(H,26,28)/t21-/m0/s1