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

Systemtic Name: ethyl (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-phenyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-phenyl-penta-2,4-dienoate CAS Name: (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-phenylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-phenylpenta-2,4-dienoate Traditional Name: (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-phenyl-penta-2,4-dienoic acid ethyl ester Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O4/c1-5-29-25(27)15-20(19-9-7-6-8-10-19)11-12-21-17-26(2,3)18-30-24-14-13-22(28-4)16-23(21)24/h6-17H,5,18H2,1-4H3/b12-11+,20-15+