ethyl (2E,4E)-5-(7-ethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoate

Systemtic Name: ethyl (2E,4E)-5-(7-ethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-(7-ethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoate CAS Name: (2E,4E)-5-(7-ethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-(7-ethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoate Traditional Name: (2E,4E)-5-(7-ethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid ethyl ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OCC(C=C2C=CC(=CC(=O)OCC)C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OCC(C=C2/C=C/C(=C/C(=O)OCC)/C)(C)C

InChI

InChI=1S/C22H28O4/c1-6-24-18-10-11-20-19(13-18)17(14-22(4,5)15-26-20)9-8-16(3)12-21(23)25-7-2/h8-14H,6-7,15H2,1-5H3/b9-8+,16-12+