3-[[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-propanoic acid

Systemtic Name: 3-[[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-propanoic acid Openeye Name: 3-[[3-oxo-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-propanoic acid CAS Name: 3-[[3-oxo-4-[3-(2-pyridinylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenylpropanoic acid IUPAC Name: 3-[[3-oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenylpropanoic acid Traditional Name: 3-[[3-keto-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-propionic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)OC(CC(=O)O)C3=CC=CC=C3)CCCNC4=CC=CC=N4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)OC(CC(=O)O)C3=CC=CC=C3)CCCNC4=CC=CC=N4

InChI

InChI=1S/C25H25N3O5/c29-24-17-32-22-15-19(33-21(16-25(30)31)18-7-2-1-3-8-18)10-11-20(22)28(24)14-6-13-27-23-9-4-5-12-26-23/h1-5,7-12,15,21H,6,13-14,16-17H2,(H,26,27)(H,30,31)