2-(2-azanylethylamino)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(2-azanylethylamino)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-aminoethylamino)-4-(3,5-dimethylanilino)-4-oxo-butanoic acid CAS Name: 2-(2-aminoethylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid IUPAC Name: 2-(2-aminoethylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid Traditional Name: 2-(2-aminoethylamino)-4-(3,5-dimethylanilino)-4-keto-butyric acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3/c1-9-5-10(2)7-11(6-9)17-13(18)8-12(14(19)20)16-4-3-15/h5-7,12,16H,3-4,8,15H2,1-2H3,(H,17,18)(H,19,20)