methyl (4S)-4-[(3,4-dimethoxyphenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-4-[(3,4-dimethoxyphenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-[(3,4-dimethoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-4-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[(3,4-dimethoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(trifluoromethyl)-4-(veratroylamino)-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H17F3N2O6 MolecularWeight: 402.32189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C17H17F3N2O6/c1-8-12(14(24)28-4)16(15(25)21-8,17(18,19)20)22-13(23)9-5-6-10(26-2)11(7-9)27-3/h5-7H,1-4H3,(H,21,25)(H,22,23)/t16-/m0/s1