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

Systemtic Name: 4-oxidanylidene-4-[(phenylmethyl)amino]-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-(benzylamino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-oxo-4-[(phenylmethyl)amino]-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(benzylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-(benzylamino)-4-keto-2-(3-pyridylmethylamino)butyric acid Formula: C17H19N3O3 MolecularWeight: 313.35106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC(C(=O)O)NCC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC(C(=O)O)NCC2=CN=CC=C2

InChI

InChI=1S/C17H19N3O3/c21-16(20-11-13-5-2-1-3-6-13)9-15(17(22)23)19-12-14-7-4-8-18-10-14/h1-8,10,15,19H,9,11-12H2,(H,20,21)(H,22,23)