3-(4-methoxyphenyl)-5,7-bis(2-methylbutan-2-yl)-3H-1-benzofuran-2-one

Systemtic Name: 3-(4-methoxyphenyl)-5,7-bis(2-methylbutan-2-yl)-3H-1-benzofuran-2-one Openeye Name: 5,7-bis(1,1-dimethylpropyl)-3-(4-methoxyphenyl)-3H-benzofuran-2-one CAS Name: 3-(4-methoxyphenyl)-5,7-bis(2-methylbutan-2-yl)-3H-benzofuran-2-one IUPAC Name: 3-(4-methoxyphenyl)-5,7-bis(2-methylbutan-2-yl)-3H-1-benzofuran-2-one Traditional Name: 5,7-ditert-amyl-3-(4-methoxyphenyl)coumaran-2-one Formula: C25H32O3 MolecularWeight: 380.51978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C2C(=C1)C(C(=O)O2)C3=CC=C(C=C3)OC)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C2C(=C1)C(C(=O)O2)C3=CC=C(C=C3)OC)C(C)(C)CC

InChI

InChI=1S/C25H32O3/c1-8-24(3,4)17-14-19-21(16-10-12-18(27-7)13-11-16)23(26)28-22(19)20(15-17)25(5,6)9-2/h10-15,21H,8-9H2,1-7H3