tert-butyl 3,4-dimethyl-5-(2,4,4-trimethyl-5-oxidanylidene-cyclopenten-1-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3,4-dimethyl-5-(2,4,4-trimethyl-5-oxidanylidene-cyclopenten-1-yl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3,4-dimethyl-5-(2,4,4-trimethyl-5-oxo-cyclopenten-1-yl)-1H-pyrrole-2-carboxylate CAS Name: 3,4-dimethyl-5-(2,4,4-trimethyl-5-oxo-1-cyclopentenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,4-dimethyl-5-(2,4,4-trimethyl-5-oxocyclopenten-1-yl)-1H-pyrrole-2-carboxylate Traditional Name: 5-(5-keto-2,4,4-trimethyl-cyclopenten-1-yl)-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C1)(C)C)C2=C(C(=C(N2)C(=O)OC(C)(C)C)C)C

Isomeric SMILES

CC1=C(C(=O)C(C1)(C)C)C2=C(C(=C(N2)C(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C19H27NO3/c1-10-9-19(7,8)16(21)13(10)14-11(2)12(3)15(20-14)17(22)23-18(4,5)6/h20H,9H2,1-8H3