tert-butyl 3-butyl-8,8-dimethyl-6-oxidanylidene-4,5,7,9-tetrahydrocycloocta[b]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-butyl-8,8-dimethyl-6-oxidanylidene-4,5,7,9-tetrahydrocycloocta[b]pyrrole-1-carboxylate Openeye Name: tert-butyl 3-butyl-8,8-dimethyl-6-oxo-4,5,7,9-tetrahydrocycloocta[b]pyrrole-1-carboxylate CAS Name: 3-butyl-8,8-dimethyl-6-oxo-4,5,7,9-tetrahydrocycloocta[b]pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-8,8-dimethyl-6-oxo-4,5,7,9-tetrahydrocycloocta[b]pyrrole-1-carboxylate Traditional Name: 3-butyl-6-keto-8,8-dimethyl-4,5,7,9-tetrahydrocycloocta[b]pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C1CCC(=O)CC(C2)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CN(C2=C1CCC(=O)CC(C2)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO3/c1-7-8-9-15-14-22(19(24)25-20(2,3)4)18-13-21(5,6)12-16(23)10-11-17(15)18/h14H,7-13H2,1-6H3