O1-[4-[(3E,5E)-7-cyanohepta-1,3,5-trien-4-yl]phenyl] O5-ethynyl 2-ethyl-4-methyl-pentanedioate

Systemtic Name: O1-[4-[(3E,5E)-7-cyanohepta-1,3,5-trien-4-yl]phenyl] O5-ethynyl 2-ethyl-4-methyl-pentanedioate Openeye Name: O1-[4-[(1E)-1-[(E)-3-cyanoprop-1-enyl]buta-1,3-dienyl]phenyl] O5-ethynyl 2-ethyl-4-methyl-pentanedioate CAS Name: 2-ethyl-4-methylpentanedioic acid O1-[4-[(3E,5E)-7-cyanohepta-1,3,5-trien-4-yl]phenyl] ester O5-ethynyl ester IUPAC Name: 1-O-[4-[(3E,5E)-7-cyanohepta-1,3,5-trien-4-yl]phenyl] 5-O-ethynyl 2-ethyl-4-methylpentanedioate Traditional Name: 2-ethyl-4-methyl-glutaric acid O1-[4-[(1E)-1-[(E)-3-cyanoprop-1-enyl]buta-1,3-dienyl]phenyl] ester O5-ethynyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC#C)C(=O)OC1=CC=C(C=C1)C(=CC=C)C=CCC#N

Isomeric SMILES

CCC(CC(C)C(=O)OC#C)C(=O)OC1=CC=C(C=C1)/C(=C/C=C)/C=C/CC#N

InChI

InChI=1S/C24H25NO4/c1-5-10-20(11-8-9-16-25)21-12-14-22(15-13-21)29-24(27)19(6-2)17-18(4)23(26)28-7-3/h3,5,8,10-15,18-19H,1,6,9,17H2,2,4H3/b11-8+,20-10+