ethyl 5-[2-(azepan-1-yl)-2-oxidanylidene-ethanoyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(azepan-1-yl)-2-oxidanylidene-ethanoyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(azepan-1-yl)-2-oxo-acetyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(1-azepanyl)-1,2-dioxoethyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(azepan-1-yl)-2-oxoacetyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(azepan-1-yl)-2-keto-acetyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2F)C(=O)C(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2F)C(=O)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H25FN2O4/c1-3-29-22(28)17-14(2)24-19(18(17)15-10-6-7-11-16(15)23)20(26)21(27)25-12-8-4-5-9-13-25/h6-7,10-11,24H,3-5,8-9,12-13H2,1-2H3