(phenylmethyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (phenylmethyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: benzyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid benzyl ester Formula: C17H15ClO4 MolecularWeight: 318.7516

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C17H15ClO4/c18-14-9-13(10-15-16(14)21-8-4-7-20-15)17(19)22-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2