2-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)phenyl]ethanenitrile Openeye Name: 2-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)phenyl]acetonitrile CAS Name: 2-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)phenyl]acetonitrile IUPAC Name: 2-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)phenyl]acetonitrile Traditional Name: 2-[4-(5-methoxy-2,2,4,6,7-pentamethyl-coumaran-3-yl)phenyl]acetonitrile Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC)C)C(C(O2)(C)C)C3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC)C)C(C(O2)(C)C)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H25NO2/c1-13-14(2)21-18(15(3)20(13)24-6)19(22(4,5)25-21)17-9-7-16(8-10-17)11-12-23/h7-10,19H,11H2,1-6H3