O4-ethyl O2-[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: 4-O-ethyl 2-O-[1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C23H25FN2O6 MolecularWeight: 444.452803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H25FN2O6/c1-4-31-22(29)18-13(2)19(25-14(18)3)23(30)32-17-7-5-6-12-26(21(17)28)20(27)15-8-10-16(24)11-9-15/h8-11,17,25H,4-7,12H2,1-3H3