(E)-3-(4-ethoxycarbonyl-2,3-dihydro-1-benzoxepin-9-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-ethoxycarbonyl-2,3-dihydro-1-benzoxepin-9-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-ethoxycarbonyl-2,3-dihydro-1-benzoxepin-9-yl)prop-2-enoic acid CAS Name: (E)-3-(4-ethoxycarbonyl-2,3-dihydro-1-benzoxepin-9-yl)-2-propenoic acid IUPAC Name: (E)-3-(4-ethoxycarbonyl-2,3-dihydro-1-benzoxepin-9-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-carbethoxy-2,3-dihydro-1-benzoxepin-9-yl)acrylic acid Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O5/c1-2-20-16(19)13-8-9-21-15-11(6-7-14(17)18)4-3-5-12(15)10-13/h3-7,10H,2,8-9H2,1H3,(H,17,18)/b7-6+