N-(2-bromanyl-4-methyl-phenyl)-2-(3-oxidanylpropylamino)ethanamide; ethanedioic acid

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3-oxidanylpropylamino)ethanamide; ethanedioic acid Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(3-hydroxypropylamino)acetamide; oxalic acid CAS Name: N-(2-bromo-4-methylphenyl)-2-(3-hydroxypropylamino)acetamide; oxalic acid IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3-hydroxypropylamino)acetamide; oxalic acid Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(3-hydroxypropylamino)acetamide; oxalic acid Formula: C14H19BrN2O6 MolecularWeight: 391.21446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CNCCCO)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CNCCCO)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17BrN2O2.C2H2O4/c1-9-3-4-11(10(13)7-9)15-12(17)8-14-5-2-6-16;3-1(4)2(5)6/h3-4,7,14,16H,2,5-6,8H2,1H3,(H,15,17);(H,3,4)(H,5,6)