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

Systemtic Name: [3-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]phenyl] 4-tert-butylbenzoate Openeye Name: [3-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]phenyl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)C(C)(C)C

InChI

InChI=1S/C25H27NO3/c1-24(2,3)20-12-10-18(11-13-20)23(28)29-21-9-7-8-17(15-21)14-19(16-26)22(27)25(4,5)6/h7-15H,1-6H3/b19-14+