(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(2-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(2-methoxyphenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]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-methoxybenzoyl)amino]acetate Traditional Name: 2-(o-anisoylamino)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H20ClNO6/c1-25-16-6-3-2-5-14(16)20(24)22-11-18(23)28-12-13-9-15(21)19-17(10-13)26-7-4-8-27-19/h2-3,5-6,9-10H,4,7-8,11-12H2,1H3,(H,22,24)