ethyl 5-(4-fluorophenyl)-2-methyl-1-(3-oxidanylidene-3-piperidin-1-yl-propyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-(3-oxidanylidene-3-piperidin-1-yl-propyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[3-oxo-3-(1-piperidyl)propyl]pyrrole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-2-methyl-1-[3-oxo-3-(1-piperidinyl)propyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)pyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-1-(3-keto-3-piperidino-propyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H27FN2O3 MolecularWeight: 386.459783

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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)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CCC(=O)N3CCCCC3)C

InChI

InChI=1S/C22H27FN2O3/c1-3-28-22(27)19-15-20(17-7-9-18(23)10-8-17)25(16(19)2)14-11-21(26)24-12-5-4-6-13-24/h7-10,15H,3-6,11-14H2,1-2H3