ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(benzylamino)-2-oxo-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[1,2-dioxo-2-[(phenylmethyl)amino]ethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(benzylamino)-2-oxoacetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(benzylamino)-2-keto-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H21FN2O4 MolecularWeight: 408.422243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C23H21FN2O4/c1-3-30-23(29)18-14(2)26-20(19(18)16-9-11-17(24)12-10-16)21(27)22(28)25-13-15-7-5-4-6-8-15/h4-12,26H,3,13H2,1-2H3,(H,25,28)