ethyl 4-[(5E)-5-(2-ethoxy-2-oxidanylidene-ethylidene)-3,4-dihydro-2H-1-benzoxepin-6-yl]butanoate

Systemtic Name: ethyl 4-[(5E)-5-(2-ethoxy-2-oxidanylidene-ethylidene)-3,4-dihydro-2H-1-benzoxepin-6-yl]butanoate Openeye Name: ethyl 4-[(5E)-5-(2-ethoxy-2-oxo-ethylidene)-3,4-dihydro-2H-1-benzoxepin-6-yl]butanoate CAS Name: 4-[(5E)-5-(2-ethoxy-2-oxoethylidene)-3,4-dihydro-2H-1-benzoxepin-6-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(5E)-5-(2-ethoxy-2-oxoethylidene)-3,4-dihydro-2H-1-benzoxepin-6-yl]butanoate Traditional Name: 4-[(5E)-5-(2-ethoxy-2-keto-ethylidene)-3,4-dihydro-2H-1-benzoxepin-6-yl]butyric acid ethyl ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C2C(=CC(=O)OCC)CCCOC2=CC=C1

Isomeric SMILES

CCOC(=O)CCCC1=C2/C(=C/C(=O)OCC)/CCCOC2=CC=C1

InChI

InChI=1S/C20H26O5/c1-3-23-18(21)12-6-9-15-8-5-11-17-20(15)16(10-7-13-25-17)14-19(22)24-4-2/h5,8,11,14H,3-4,6-7,9-10,12-13H2,1-2H3/b16-14+