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

Systemtic Name: ethyl 4-[[ethanoyl-(4-fluorophenyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(N-acetyl-4-fluoro-anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(N-acetyl-4-fluoroanilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(N-acetyl-4-fluoroanilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(N-acetyl-4-fluoro-anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H21FN2O3 MolecularWeight: 332.369343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=C(C=C2)F)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=C(C=C2)F)C(=O)C)C

InChI

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