tert-butyl 5-[5,5-dimethyl-3,6-bis(oxidanylidene)heptan-2-yl]-3,4-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[5,5-dimethyl-3,6-bis(oxidanylidene)heptan-2-yl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3,4-dimethyl-5-(1,4,4-trimethyl-2,5-dioxo-hexyl)-1H-pyrrole-2-carboxylate CAS Name: 5-(5,5-dimethyl-3,6-dioxoheptan-2-yl)-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(5,5-dimethyl-3,6-dioxoheptan-2-yl)-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(2,5-diketo-1,4,4-trimethyl-hexyl)-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(C)C(=O)CC(C)(C)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(C)C(=O)CC(C)(C)C(=O)C

InChI

InChI=1S/C20H31NO4/c1-11-12(2)17(18(24)25-19(5,6)7)21-16(11)13(3)15(23)10-20(8,9)14(4)22/h13,21H,10H2,1-9H3