[4-[(E)-3-cyano-2-oxidanylidene-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[(E)-3-cyano-2-oxidanylidene-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-3-cyano-2-keto-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] ester Formula: C31H31NO6 MolecularWeight: 513.58094

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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)CC(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO6/c1-31(2,3)24-11-9-22(10-12-24)30(34)38-25-13-7-20(8-14-25)16-26(33)23(19-32)15-21-17-27(35-4)29(37-6)28(18-21)36-5/h7-15,17-18H,16H2,1-6H3/b23-15+