[3-[(E)-2-cyano-3-oxidanylidene-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] furan-2-carboxylate

Systemtic Name: [3-[(E)-2-cyano-3-oxidanylidene-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [3-[(E)-2-cyano-3-oxo-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [3-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-[(E)-2-cyano-3-keto-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]phenyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)C(=CC1=CC(=CC=C1)OC(=O)C2=CC=CO2)C#N

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)C2=CC=CO2)/C#N

InChI

InChI=1S/C23H26N2O4/c1-22(2,3)15-23(4,5)25-20(26)17(14-24)12-16-8-6-9-18(13-16)29-21(27)19-10-7-11-28-19/h6-13H,15H2,1-5H3,(H,25,26)/b17-12+