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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

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