[4-(4-cyanophenyl)phenyl] 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H21NO4/c1-15-22-20(27)12-25(2,3)13-21(22)30-23(15)24(28)29-19-10-8-18(9-11-19)17-6-4-16(14-26)5-7-17/h4-11H,12-13H2,1-3H3