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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-keto-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC(C)(C)CC(C)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC(C)(C)CC(C)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H32N2O4/c1-7-32-23-16-19(13-14-22(23)33-25(31)20-11-9-8-10-12-20)15-21(17-28)24(30)29-27(5,6)18-26(2,3)4/h8-16H,7,18H2,1-6H3,(H,29,30)/b21-15+