4-oxidanylidene-4-(2-phenoxyethoxy)-3-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(2-phenoxyethoxy)-3-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-oxo-4-(2-phenoxyethoxy)-3-(3-pyridylmethylamino)butanoic acid CAS Name: 4-oxo-4-(2-phenoxyethoxy)-3-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-oxo-4-(2-phenoxyethoxy)-3-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(2-phenoxyethoxy)-3-(3-pyridylmethylamino)butyric acid Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c21-17(22)11-16(20-13-14-5-4-8-19-12-14)18(23)25-10-9-24-15-6-2-1-3-7-15/h1-8,12,16,20H,9-11,13H2,(H,21,22)