4-oxidanylidene-2-(phenylmethyl)-4-(pyridin-4-ylmethylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-2-(phenylmethyl)-4-(pyridin-4-ylmethylamino)butanoic acid Openeye Name: 2-benzyl-4-oxo-4-(4-pyridylmethylamino)butanoic acid CAS Name: 4-oxo-2-(phenylmethyl)-4-(pyridin-4-ylmethylamino)butanoic acid IUPAC Name: 2-benzyl-4-oxo-4-(pyridin-4-ylmethylamino)butanoic acid Traditional Name: 2-benzyl-4-keto-4-(4-pyridylmethylamino)butyric acid Formula: C17H18N2O3 MolecularWeight: 298.33642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c20-16(19-12-14-6-8-18-9-7-14)11-15(17(21)22)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,19,20)(H,21,22)