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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-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-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H18BrNO5/c1-12-2-4-13(5-3-12)19(23)21-10-18(22)26-11-14-8-16-17(9-15(14)20)25-7-6-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,23)