2,4-bis(oxidanylidene)-4-[5-(phenylmethyl)-2-pyridin-2-yloxy-phenyl]butanoic acid

Systemtic Name: 2,4-bis(oxidanylidene)-4-[5-(phenylmethyl)-2-pyridin-2-yloxy-phenyl]butanoic acid Openeye Name: 4-[5-benzyl-2-(2-pyridyloxy)phenyl]-2,4-dioxo-butanoic acid CAS Name: 2,4-dioxo-4-[5-(phenylmethyl)-2-(2-pyridinyloxy)phenyl]butanoic acid IUPAC Name: 4-(5-benzyl-2-pyridin-2-yloxyphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-[5-benzyl-2-(2-pyridyloxy)phenyl]-2,4-diketo-butyric acid Formula: C22H17NO5 MolecularWeight: 375.37408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C=C2)OC3=CC=CC=N3)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C=C2)OC3=CC=CC=N3)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C22H17NO5/c24-18(14-19(25)22(26)27)17-13-16(12-15-6-2-1-3-7-15)9-10-20(17)28-21-8-4-5-11-23-21/h1-11,13H,12,14H2,(H,26,27)