3-[6-[6-(4-chlorophenyl)-4-phenyl-pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[6-[6-(4-chlorophenyl)-4-phenyl-pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[6-[6-(4-chlorophenyl)-4-phenyl-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[6-[6-(4-chlorophenyl)-4-phenyl-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[6-[6-(4-chlorophenyl)-4-phenylpyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[6-[6-(4-chlorophenyl)-4-phenyl-2-pyridyl]-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C28H21ClN2O4 MolecularWeight: 484.93034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=CC(=CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)CCC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=CC(=CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)CCC(=O)O

InChI

InChI=1S/C28H21ClN2O4/c29-22-9-6-19(7-10-22)23-14-21(18-4-2-1-3-5-18)15-24(30-23)20-8-11-26-25(16-20)31(13-12-28(33)34)27(32)17-35-26/h1-11,14-16H,12-13,17H2,(H,33,34)