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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(2-phenylethanoylamino)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(2-phenylacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]acetic 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-[(2-phenylacetyl)amino]acetate Traditional Name: 2-[(2-phenylacetyl)amino]acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)CC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)CC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C20H20ClNO5/c21-16-9-15(10-17-20(16)26-8-4-7-25-17)13-27-19(24)12-22-18(23)11-14-5-2-1-3-6-14/h1-3,5-6,9-10H,4,7-8,11-13H2,(H,22,23)