3-[6-(4-oxidanylbutylamino)-1,3-benzoxazol-2-yl]benzoic acid

Systemtic Name: 3-[6-(4-oxidanylbutylamino)-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 3-[6-(4-hydroxybutylamino)-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 3-[6-(4-hydroxybutylamino)-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-[6-(4-hydroxybutylamino)-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 3-[6-(4-hydroxybutylamino)-1,3-benzoxazol-2-yl]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NC3=C(O2)C=C(C=C3)NCCCCO

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NC3=C(O2)C=C(C=C3)NCCCCO

InChI

InChI=1S/C18H18N2O4/c21-9-2-1-8-19-14-6-7-15-16(11-14)24-17(20-15)12-4-3-5-13(10-12)18(22)23/h3-7,10-11,19,21H,1-2,8-9H2,(H,22,23)