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

Systemtic Name: methyl (4S)-4-[(4-tert-butylphenyl)carbonylamino]-1-cyclohexyl-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-[(4-tert-butylbenzoyl)amino]-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[(4-tert-butylbenzoyl)amino]-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-[(4-tert-butylbenzoyl)amino]-1-cyclohexyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C25H31F3N2O4 MolecularWeight: 480.51985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31F3N2O4/c1-15-19(21(32)34-5)24(25(26,27)28,22(33)30(15)18-9-7-6-8-10-18)29-20(31)16-11-13-17(14-12-16)23(2,3)4/h11-14,18H,6-10H2,1-5H3,(H,29,31)/t24-/m0/s1