[4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2C)C)C)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2C)C)C)/C#N

InChI

InChI=1S/C24H26N2O3/c1-5-6-11-26-23(27)20(15-25)14-19-7-9-21(10-8-19)29-24(28)22-17(3)12-16(2)13-18(22)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,26,27)/b20-14+