4-[3-(4-pentoxyphenyl)-1,2-oxazol-5-yl]benzoic acid

Systemtic Name: 4-[3-(4-pentoxyphenyl)-1,2-oxazol-5-yl]benzoic acid Openeye Name: 4-[3-(4-pentoxyphenyl)isoxazol-5-yl]benzoic acid CAS Name: 4-[3-(4-pentoxyphenyl)-5-isoxazolyl]benzoic acid IUPAC Name: 4-[3-(4-pentoxyphenyl)-1,2-oxazol-5-yl]benzoic acid Traditional Name: 4-[3-(4-amoxyphenyl)isoxazol-5-yl]benzoic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO4/c1-2-3-4-13-25-18-11-9-15(10-12-18)19-14-20(26-22-19)16-5-7-17(8-6-16)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24)