(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H22BrNO5 MolecularWeight: 496.34988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4

InChI

InChI=1S/C25H22BrNO5/c1-16-7-9-17(10-8-16)24(29)27-13-22(28)30-14-19-11-21(26)12-20-15-31-25(32-23(19)20)18-5-3-2-4-6-18/h2-12,25H,13-15H2,1H3,(H,27,29)