tert-butyl 5-[(1E)-1-(4,4-dimethyl-5-oxidanylidene-oxolan-2-ylidene)undecyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[(1E)-1-(4,4-dimethyl-5-oxidanylidene-oxolan-2-ylidene)undecyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[(1E)-1-(4,4-dimethyl-5-oxo-tetrahydrofuran-2-ylidene)undecyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(1E)-1-(4,4-dimethyl-5-oxo-2-oxolanylidene)undecyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(1E)-1-(4,4-dimethyl-5-oxooxolan-2-ylidene)undecyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(1E)-1-(5-keto-4,4-dimethyl-tetrahydrofuran-2-ylidene)undecyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C28H45NO4 MolecularWeight: 459.6612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=C1CC(C(=O)O1)(C)C)C2=C(C(=C(N2)C(=O)OC(C)(C)C)C)C

Isomeric SMILES

CCCCCCCCCC/C(=C\1/CC(C(=O)O1)(C)C)/C2=C(C(=C(N2)C(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C28H45NO4/c1-9-10-11-12-13-14-15-16-17-21(22-18-28(7,8)26(31)32-22)23-19(2)20(3)24(29-23)25(30)33-27(4,5)6/h29H,9-18H2,1-8H3/b22-21+