2-acetamido-2-[(3-methoxy-4-methyl-phenyl)methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[(3-methoxy-4-methyl-phenyl)methyl]propanedioic acid Openeye Name: 2-acetamido-2-[(3-methoxy-4-methyl-phenyl)methyl]propanedioic acid CAS Name: 2-acetamido-2-[(3-methoxy-4-methylphenyl)methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[(3-methoxy-4-methylphenyl)methyl]propanedioic acid Traditional Name: 2-acetamido-2-(3-methoxy-4-methyl-benzyl)malonic acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(C(=O)O)(C(=O)O)NC(=O)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)CC(C(=O)O)(C(=O)O)NC(=O)C)OC

InChI

InChI=1S/C14H17NO6/c1-8-4-5-10(6-11(8)21-3)7-14(12(17)18,13(19)20)15-9(2)16/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)