(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-benzamidoethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-benzamidoethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)C3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)C3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C19H18ClNO5/c20-15-9-13(10-16-18(15)25-8-4-7-24-16)12-26-17(22)11-21-19(23)14-5-2-1-3-6-14/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,21,23)