methyl 3-(2-fluorophenyl)-2,5-dimethyl-2-oxidanyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate

Systemtic Name: methyl 3-(2-fluorophenyl)-2,5-dimethyl-2-oxidanyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Openeye Name: methyl 3-(2-fluorophenyl)-2-hydroxy-2,5-dimethyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-3-(2-fluorophenyl)-2-hydroxy-2,5-dimethyl-3H-pyrrole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-fluorophenyl)-2-hydroxy-2,5-dimethyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Traditional Name: 4-(2-fluorophenyl)-5-hydroxy-2,5-dimethyl-1-(phenylcarbamoylamino)-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(N1NC(=O)NC2=CC=CC=C2)(C)O)C3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CC1=C(C(C(N1NC(=O)NC2=CC=CC=C2)(C)O)C3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C21H22FN3O4/c1-13-17(19(26)29-3)18(15-11-7-8-12-16(15)22)21(2,28)25(13)24-20(27)23-14-9-5-4-6-10-14/h4-12,18,28H,1-3H3,(H2,23,24,27)