diethyl 2-acetamido-2-[[2-(3-bromanylpropyl)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[2-(3-bromanylpropyl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[2-(3-bromopropyl)phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[2-(3-bromopropyl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[2-(3-bromopropyl)phenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[2-(3-bromopropyl)benzyl]malonic acid diethyl ester Formula: C19H26BrNO5 MolecularWeight: 428.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1CCCBr)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1CCCBr)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C19H26BrNO5/c1-4-25-17(23)19(21-14(3)22,18(24)26-5-2)13-16-10-7-6-9-15(16)11-8-12-20/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,21,22)