ethyl (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)ethenyl]oct-2-enoate

Systemtic Name: ethyl (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)ethenyl]oct-2-enoate Openeye Name: ethyl (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)vinyl]oct-2-enoate CAS Name: (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)ethenyl]-2-octenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)ethenyl]oct-2-enoate Traditional Name: (2Z,4E)-3-amyl-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)penta-2,4-dienoic acid ethyl ester Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC(=O)OCC)C=CC1=CC(COC2=C1C=C(C=C2)OC)(C)C

Isomeric SMILES

CCCCC/C(=C/C(=O)OCC)/C=C/C1=CC(COC2=C1C=C(C=C2)OC)(C)C

InChI

InChI=1S/C25H34O4/c1-6-8-9-10-19(15-24(26)28-7-2)11-12-20-17-25(3,4)18-29-23-14-13-21(27-5)16-22(20)23/h11-17H,6-10,18H2,1-5H3/b12-11+,19-15-