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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]phenyl] ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H23NO3/c1-27(2,3)23-13-11-21(12-14-23)26(30)31-24-15-9-19(10-16-24)17-22(18-28)25(29)20-7-5-4-6-8-20/h4-17H,1-3H3/b22-17+