2-[6-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]-1,3-benzoxazol-2-yl]benzoic acid

Systemtic Name: 2-[6-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 2-[6-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 2-[6-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 2-[6-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 2-[6-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-1,3-benzoxazol-2-yl]benzoic acid Formula: C23H20ClN3O4 MolecularWeight: 437.8756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N=C(O3)C4=CC=CC=C4C(=O)O)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N=C(O3)C4=CC=CC=C4C(=O)O)C=O)Cl

InChI

InChI=1S/C23H20ClN3O4/c1-2-3-8-20-26-21(24)18(13-28)27(20)12-14-9-10-17-19(11-14)31-22(25-17)15-6-4-5-7-16(15)23(29)30/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,29,30)