4-[5-(3-phenylhexyl)-1,3,4-oxadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-(3-phenylhexyl)-1,3,4-oxadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(3-phenylhexyl)-1,3,4-oxadiazol-2-yl]benzoic acid CAS Name: 4-[5-(3-phenylhexyl)-1,3,4-oxadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(3-phenylhexyl)-1,3,4-oxadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(3-phenylhexyl)-1,3,4-oxadiazol-2-yl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=NN=C(O1)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCC1=NN=C(O1)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-2-6-15(16-7-4-3-5-8-16)13-14-19-22-23-20(26-19)17-9-11-18(12-10-17)21(24)25/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,24,25)