tert-butyl (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxidanylidene-dodeca-3,5,9-trienoate

Systemtic Name: tert-butyl (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxidanylidene-dodeca-3,5,9-trienoate Openeye Name: tert-butyl (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxo-dodeca-3,5,9-trienoate CAS Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxododeca-3,5,9-trienoic acid tert-butyl ester IUPAC Name: tert-butyl (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxododeca-3,5,9-trienoate Traditional Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-11-keto-4,10-dimethyl-dodeca-3,5,9-trienoic acid tert-butyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C=C(C)C=CCCC=C(C)C(=O)CC#N)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C(\C=C(/C)\C=C\CC/C=C(\C)/C(=O)CC#N)/C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO3/c1-7-18(20(24)25-21(4,5)6)15-16(2)11-9-8-10-12-17(3)19(23)13-14-22/h7,9,11-12,15H,8,10,13H2,1-6H3/b11-9+,16-15+,17-12+,18-7+