(E)-4-(3,3-dimethyl-7-phenyl-2H-1-benzoxepin-5-yl)but-3-en-2-one

Systemtic Name: (E)-4-(3,3-dimethyl-7-phenyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Openeye Name: (E)-4-(3,3-dimethyl-7-phenyl-2H-1-benzoxepin-5-yl)but-3-en-2-one CAS Name: (E)-4-(3,3-dimethyl-7-phenyl-2H-1-benzoxepin-5-yl)-3-buten-2-one IUPAC Name: (E)-4-(3,3-dimethyl-7-phenyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Traditional Name: (E)-4-(3,3-dimethyl-7-phenyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Formula: C22H22O2 MolecularWeight: 318.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(COC2=C1C=C(C=C2)C3=CC=CC=C3)(C)C

Isomeric SMILES

CC(=O)/C=C/C1=CC(COC2=C1C=C(C=C2)C3=CC=CC=C3)(C)C

InChI

InChI=1S/C22H22O2/c1-16(23)9-10-19-14-22(2,3)15-24-21-12-11-18(13-20(19)21)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3/b10-9+