ethyl 5-(4-fluorophenyl)-2-methyl-1-[3-oxidanylidene-3-(phenethylamino)propyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[3-oxidanylidene-3-(phenethylamino)propyl]pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[3-oxo-3-(phenethylamino)propyl]pyrrole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-2-methyl-1-[3-oxo-3-(phenethylamino)propyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[3-oxo-3-(phenethylamino)propyl]pyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-1-[3-keto-3-(phenethylamino)propyl]-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CCC(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CCC(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H27FN2O3/c1-3-31-25(30)22-17-23(20-9-11-21(26)12-10-20)28(18(22)2)16-14-24(29)27-15-13-19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,27,29)