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

Systemtic Name: 3-[6-(6-oxidanylhexylamino)-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 3-[6-(6-hydroxyhexylamino)-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 3-[6-(6-hydroxyhexylamino)-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-[6-(6-hydroxyhexylamino)-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 3-[6-(6-hydroxyhexylamino)-1,3-benzoxazol-2-yl]benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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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)NCCCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c23-11-4-2-1-3-10-21-16-8-9-17-18(13-16)26-19(22-17)14-6-5-7-15(12-14)20(24)25/h5-9,12-13,21,23H,1-4,10-11H2,(H,24,25)