4-[(2,3-dimethylphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-[(2,3-dimethylphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-(2,3-dimethylanilino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-(2,3-dimethylanilino)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(2,3-dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-(2,3-dimethylanilino)-4-keto-2-(3-pyridylmethylamino)butyric acid Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)C

InChI

InChI=1S/C18H21N3O3/c1-12-5-3-7-15(13(12)2)21-17(22)9-16(18(23)24)20-11-14-6-4-8-19-10-14/h3-8,10,16,20H,9,11H2,1-2H3,(H,21,22)(H,23,24)