(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-methoxyphenyl)carbonylamino]ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate Traditional Name: 2-(p-anisoylamino)acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H18BrNO6 MolecularWeight: 436.25332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H18BrNO6/c1-24-14-4-2-12(3-5-14)19(23)21-10-18(22)27-11-13-8-16-17(9-15(13)20)26-7-6-25-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,23)