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

Systemtic Name: ethyl (2E,4E)-5-[3,3-dimethyl-7-(4-methylphenyl)-2H-1-benzoxepin-5-yl]-3-methyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-[3,3-dimethyl-7-(p-tolyl)-2H-1-benzoxepin-5-yl]-3-methyl-penta-2,4-dienoate CAS Name: (2E,4E)-5-[3,3-dimethyl-7-(4-methylphenyl)-2H-1-benzoxepin-5-yl]-3-methylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-[3,3-dimethyl-7-(4-methylphenyl)-2H-1-benzoxepin-5-yl]-3-methylpenta-2,4-dienoate Traditional Name: (2E,4E)-5-[3,3-dimethyl-7-(p-tolyl)-2H-1-benzoxepin-5-yl]-3-methyl-penta-2,4-dienoic acid ethyl ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O3/c1-6-29-26(28)15-20(3)9-12-23-17-27(4,5)18-30-25-14-13-22(16-24(23)25)21-10-7-19(2)8-11-21/h7-17H,6,18H2,1-5H3/b12-9+,20-15+