(4E)-4-[(4-methoxyphenyl)methylidene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: (4E)-4-[(4-methoxyphenyl)methylidene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-4-[(4-methoxyphenyl)methylene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-4-[(4-methoxyphenyl)methylidene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-4-[(4-methoxyphenyl)methylidene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-6,8,9-trimethyl-4-p-anisylidene-2,3-dihydro-1-benzoxepin-5-one Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)OC)CCO2)C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=C(C=C3)OC)/CCO2)C)C

InChI

InChI=1S/C21H22O3/c1-13-11-14(2)19-20(22)17(9-10-24-21(19)15(13)3)12-16-5-7-18(23-4)8-6-16/h5-8,11-12H,9-10H2,1-4H3/b17-12+