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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-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-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20BrNO5 MolecularWeight: 434.2805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO5/c1-12-3-4-14(7-13(12)2)20(24)22-10-19(23)27-11-15-8-17-18(9-16(15)21)26-6-5-25-17/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24)