methyl 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C19H16O5 MolecularWeight: 324.32734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC4=C(COO4)C=C3)OCC1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC4=C(COO4)C=C3)OCC1

InChI

InChI=1S/C19H16O5/c1-21-19(20)14-6-7-22-17-5-4-12(8-16(17)9-14)13-2-3-15-11-23-24-18(15)10-13/h2-5,8-10H,6-7,11H2,1H3