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

Systemtic Name: methyl (4S)-1-cyclopentyl-4-[(2-methoxyphenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-cyclopentyl-4-[(2-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-cyclopentyl-4-[[(2-methoxyphenyl)-oxomethyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-cyclopentyl-4-[(2-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-cyclopentyl-5-keto-2-methyl-4-(o-anisoylamino)-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H23F3N2O5 MolecularWeight: 440.41293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)C3=CC=CC=C3OC)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)C3=CC=CC=C3OC)C(=O)OC

InChI

InChI=1S/C21H23F3N2O5/c1-12-16(18(28)31-3)20(21(22,23)24,19(29)26(12)13-8-4-5-9-13)25-17(27)14-10-6-7-11-15(14)30-2/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,25,27)/t20-/m0/s1