ethyl 9-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C20H24O5 MolecularWeight: 344.40156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)C=CC(=O)OC(C)(C)C)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)/C=C/C(=O)OC(C)(C)C)OCC1

InChI

InChI=1S/C20H24O5/c1-5-23-19(22)16-11-12-24-18-14(7-6-8-15(18)13-16)9-10-17(21)25-20(2,3)4/h6-10,13H,5,11-12H2,1-4H3/b10-9+