[4-[3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3,3-dimethylbutanoate

Systemtic Name: [4-[3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3,3-dimethylbutanoate Openeye Name: [4-[3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [4-[3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [4-[3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)CC(C)(C)C)C#N

Isomeric SMILES

CCCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)CC(C)(C)C)C#N

InChI

InChI=1S/C20H26N2O3/c1-5-6-11-22-19(24)16(14-21)12-15-7-9-17(10-8-15)25-18(23)13-20(2,3)4/h7-10,12H,5-6,11,13H2,1-4H3,(H,22,24)