2-(2-azanylethylamino)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid; ethanedioic acid

Systemtic Name: 2-(2-azanylethylamino)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid; ethanedioic acid Openeye Name: 2-(2-aminoethylamino)-4-(2,5-dimethylanilino)-4-oxo-butanoic acid; oxalic acid CAS Name: 2-(2-aminoethylamino)-4-(2,5-dimethylanilino)-4-oxobutanoic acid; oxalic acid IUPAC Name: 2-(2-aminoethylamino)-4-(2,5-dimethylanilino)-4-oxobutanoic acid; oxalic acid Traditional Name: 2-(2-aminoethylamino)-4-(2,5-dimethylanilino)-4-keto-butyric acid; oxalic acid Formula: C16H23N3O7 MolecularWeight: 369.36972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC(C(=O)O)NCCN.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC(C(=O)O)NCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N3O3.C2H2O4/c1-9-3-4-10(2)11(7-9)17-13(18)8-12(14(19)20)16-6-5-15;3-1(4)2(5)6/h3-4,7,12,16H,5-6,8,15H2,1-2H3,(H,17,18)(H,19,20);(H,3,4)(H,5,6)