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

Systemtic Name: 3-[6-(imidazol-1-ylmethyl)-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 3-[6-(imidazol-1-ylmethyl)-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 3-[6-(1-imidazolylmethyl)-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-[6-(imidazol-1-ylmethyl)-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 3-[6-(imidazol-1-ylmethyl)-1,3-benzoxazol-2-yl]benzoic acid Formula: C18H13N3O3 MolecularWeight: 319.31412

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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)CN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NC3=C(O2)C=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C18H13N3O3/c22-18(23)14-3-1-2-13(9-14)17-20-15-5-4-12(8-16(15)24-17)10-21-7-6-19-11-21/h1-9,11H,10H2,(H,22,23)