methyl 5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate

Systemtic Name: methyl 5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Openeye Name: methyl 5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate CAS Name: 5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Traditional Name: 5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid methyl ester Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=CC=CC=C2OCCO1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(C2=CC=CC=C2OCCO1)C3=CC=CC=C3

InChI

InChI=1S/C17H16O4/c1-19-16(18)17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)20-11-12-21-17/h2-10H,11-12H2,1H3