[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 4-tert-butylbenzoate Openeye Name: [4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-2-ethoxy-phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethoxyphenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-2-ethoxy-phenyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5/c1-6-29-22-15-17(14-19(16-26)23(27)30-7-2)8-13-21(22)31-24(28)18-9-11-20(12-10-18)25(3,4)5/h8-15H,6-7H2,1-5H3