methyl 3-acetyloxy-2-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)carbonylamino]propanoate

Systemtic Name: methyl 3-acetyloxy-2-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)carbonylamino]propanoate Openeye Name: methyl 3-acetoxy-2-[(2-benzyloxy-5-bromo-3-methoxy-benzoyl)amino]propanoate CAS Name: 3-acetyloxy-2-[[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-acetyloxy-2-[(5-bromo-3-methoxy-2-phenylmethoxybenzoyl)amino]propanoate Traditional Name: 3-acetoxy-2-[(2-benzoxy-5-bromo-3-methoxy-benzoyl)amino]propionic acid methyl ester Formula: C21H22BrNO7 MolecularWeight: 480.30588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(=O)OC)NC(=O)C1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

Isomeric SMILES

CC(=O)OCC(C(=O)OC)NC(=O)C1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

InChI

InChI=1S/C21H22BrNO7/c1-13(24)29-12-17(21(26)28-3)23-20(25)16-9-15(22)10-18(27-2)19(16)30-11-14-7-5-4-6-8-14/h4-10,17H,11-12H2,1-3H3,(H,23,25)