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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-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-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20BrNO7 MolecularWeight: 466.2793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO7/c1-25-15-4-3-12(7-16(15)26-2)20(24)22-10-19(23)29-11-13-8-17-18(9-14(13)21)28-6-5-27-17/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24)