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

Systemtic Name: [4-[(E)-2-cyano-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(p-tolyl)prop-1-enyl]-2-methoxy-phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(p-tolyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO4/c1-19-6-9-21(10-7-19)27(31)23(18-30)16-20-8-15-25(26(17-20)33-5)34-28(32)22-11-13-24(14-12-22)29(2,3)4/h6-17H,1-5H3/b23-16+