pyridin-2-ylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: pyridin-2-ylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: 2-pyridylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 2-pyridylmethyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)OC1

InChI

InChI=1S/C16H15NO4/c18-16(21-11-13-4-1-2-7-17-13)12-5-6-14-15(10-12)20-9-3-8-19-14/h1-2,4-7,10H,3,8-9,11H2