[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H19FN2O4 MolecularWeight: 394.395663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H19FN2O4/c1-14(26)16-12-19(25(2)13-16)22(28)29-20(15-6-4-3-5-7-15)21(27)24-18-10-8-17(23)9-11-18/h3-13,20H,1-2H3,(H,24,27)/t20-/m1/s1