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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-keto-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]phenyl] ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-24(2,3)17-25(4,5)27-22(28)20(16-26)15-18-11-13-21(14-12-18)30-23(29)19-9-7-6-8-10-19/h6-15H,17H2,1-5H3,(H,27,28)/b20-15+