3-[2-[3-(4-pyridin-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid

Systemtic Name: 3-[2-[3-(4-pyridin-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Openeye Name: 3-[2-[3-[4-(2-pyridyl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid CAS Name: 3-[2-[3-[4-(2-pyridinyl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid IUPAC Name: 3-[2-[3-(4-pyridin-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Traditional Name: 3-[2-[3-[4-(2-pyridyl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid Formula: C27H19NO4 MolecularWeight: 421.44406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC#CC2=CC=C(C=C2)C3=CC=CC=N3)OC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCC#CC2=CC=C(C=C2)C3=CC=CC=N3)OC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H19NO4/c29-27(30)22-8-5-9-23(19-22)32-26-12-2-1-11-25(26)31-18-6-7-20-13-15-21(16-14-20)24-10-3-4-17-28-24/h1-5,8-17,19H,18H2,(H,29,30)