ethyl 5-[(2S)-2-[(4-fluorophenyl)amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-[(4-fluorophenyl)amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(4-fluoroanilino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(4-fluoroanilino)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(4-fluoroanilino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-fluoroanilino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21FN2O3 MolecularWeight: 332.369343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NC2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)NC2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H21FN2O3/c1-5-24-18(23)15-10(2)16(21-11(15)3)17(22)12(4)20-14-8-6-13(19)7-9-14/h6-9,12,20-21H,5H2,1-4H3/t12-/m0/s1