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

Systemtic Name: ethyl (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoate CAS Name: (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoate Traditional Name: (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid ethyl ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OCC(C=C2C=CC(=CC(=O)OCC)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OCC(C=C2/C=C/C(=C/C(=O)OCC)/C)(C)C

InChI

InChI=1S/C22H28O3/c1-6-17-9-11-20-19(13-17)18(14-22(4,5)15-25-20)10-8-16(3)12-21(23)24-7-2/h8-14H,6-7,15H2,1-5H3/b10-8+,16-12+