[4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-ethoxy-phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-ethoxy-phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]-2-ethoxy-phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-ethoxyphenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4/c1-8-31-23-16-18(15-20(17-28)24(29)27(5,6)7)9-14-22(23)32-25(30)19-10-12-21(13-11-19)26(2,3)4/h9-16H,8H2,1-7H3/b20-15+