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

Systemtic Name: [3-[(E)-2-cyano-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-tert-butylbenzoate Openeye Name: [3-[(E)-2-cyano-3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[(E)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-[(E)-2-cyano-3-keto-3-(p-tolyl)prop-1-enyl]phenyl] ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)/C#N

InChI

InChI=1S/C28H25NO3/c1-19-8-10-21(11-9-19)26(30)23(18-29)16-20-6-5-7-25(17-20)32-27(31)22-12-14-24(15-13-22)28(2,3)4/h5-17H,1-4H3/b23-16+