ethyl 4-oxidanylidene-5-(3-oxidanylidenebutyl)-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-5-(3-oxidanylidenebutyl)-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylate Openeye Name: ethyl 4-oxo-5-(3-oxobutyl)-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylate CAS Name: 4-oxo-5-(3-oxobutyl)-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-5-(3-oxobutyl)-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylate Traditional Name: 4-keto-5-(3-ketobutyl)-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C1C(=O)C(CCC2)CCC(=O)C

Isomeric SMILES

CCOC(=O)C1=CNC2=C1C(=O)C(CCC2)CCC(=O)C

InChI

InChI=1S/C16H21NO4/c1-3-21-16(20)12-9-17-13-6-4-5-11(8-7-10(2)18)15(19)14(12)13/h9,11,17H,3-8H2,1-2H3