2-[2-oxidanyl-4-(2-pyridin-2-ylethyl)phenyl]carbonylbenzoic acid

Systemtic Name: 2-[2-oxidanyl-4-(2-pyridin-2-ylethyl)phenyl]carbonylbenzoic acid Openeye Name: 2-[2-hydroxy-4-[2-(2-pyridyl)ethyl]benzoyl]benzoic acid CAS Name: 2-[[2-hydroxy-4-[2-(2-pyridinyl)ethyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[2-hydroxy-4-(2-pyridin-2-ylethyl)benzoyl]benzoic acid Traditional Name: 2-[2-hydroxy-4-[2-(2-pyridyl)ethyl]benzoyl]benzoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)CCC3=CC=CC=N3)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)CCC3=CC=CC=N3)O)C(=O)O

InChI

InChI=1S/C21H17NO4/c23-19-13-14(8-10-15-5-3-4-12-22-15)9-11-18(19)20(24)16-6-1-2-7-17(16)21(25)26/h1-7,9,11-13,23H,8,10H2,(H,25,26)