diethyl 2-acetamido-2-[[3-(3-bromanyl-1-phenylmethoxy-propyl)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[3-(3-bromanyl-1-phenylmethoxy-propyl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[3-(1-benzyloxy-3-bromo-propyl)phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[3-(3-bromo-1-phenylmethoxypropyl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[3-(3-bromo-1-phenylmethoxypropyl)phenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[3-(1-benzoxy-3-bromo-propyl)benzyl]malonic acid diethyl ester Formula: C26H32BrNO6 MolecularWeight: 534.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)C(CCBr)OCC2=CC=CC=C2)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)C(CCBr)OCC2=CC=CC=C2)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C26H32BrNO6/c1-4-32-24(30)26(28-19(3)29,25(31)33-5-2)17-21-12-9-13-22(16-21)23(14-15-27)34-18-20-10-7-6-8-11-20/h6-13,16,23H,4-5,14-15,17-18H2,1-3H3,(H,28,29)