3-[(E)-3-phenylmethoxy-1-pyridin-2-yl-prop-2-enyl]benzoic acid

Systemtic Name: 3-[(E)-3-phenylmethoxy-1-pyridin-2-yl-prop-2-enyl]benzoic acid Openeye Name: 3-[(E)-3-benzyloxy-1-(2-pyridyl)allyl]benzoic acid CAS Name: 3-[(E)-3-phenylmethoxy-1-(2-pyridinyl)prop-2-enyl]benzoic acid IUPAC Name: 3-[(E)-3-phenylmethoxy-1-pyridin-2-ylprop-2-enyl]benzoic acid Traditional Name: 3-[(E)-3-benzoxy-1-(2-pyridyl)allyl]benzoic acid Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC=CC(C2=CC=CC(=C2)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CO/C=C/C(C2=CC=CC(=C2)C(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C22H19NO3/c24-22(25)19-10-6-9-18(15-19)20(21-11-4-5-13-23-21)12-14-26-16-17-7-2-1-3-8-17/h1-15,20H,16H2,(H,24,25)/b14-12+