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

Systemtic Name: methyl (4S)-4-[(4-tert-butylphenyl)carbonylamino]-1-cyclopentyl-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-[(4-tert-butylbenzoyl)amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[(4-tert-butylbenzoyl)amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-[(4-tert-butylbenzoyl)amino]-1-cyclopentyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C24H29F3N2O4 MolecularWeight: 466.49327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C2CCCC2)(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)N1C2CCCC2)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C24H29F3N2O4/c1-14-18(20(31)33-5)23(24(25,26)27,21(32)29(14)17-8-6-7-9-17)28-19(30)15-10-12-16(13-11-15)22(2,3)4/h10-13,17H,6-9H2,1-5H3,(H,28,30)/t23-/m0/s1