3-[4-(4-chlorophenyl)-2-(5,6-dimethylbenzimidazol-1-yl)-1,3-oxazol-5-yl]propanoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)-2-(5,6-dimethylbenzimidazol-1-yl)-1,3-oxazol-5-yl]propanoic acid Openeye Name: 3-[4-(4-chlorophenyl)-2-(5,6-dimethylbenzimidazol-1-yl)oxazol-5-yl]propanoic acid CAS Name: 3-[4-(4-chlorophenyl)-2-(5,6-dimethyl-1-benzimidazolyl)-5-oxazolyl]propanoic acid IUPAC Name: 3-[4-(4-chlorophenyl)-2-(5,6-dimethylbenzimidazol-1-yl)-1,3-oxazol-5-yl]propanoic acid Traditional Name: 3-[4-(4-chlorophenyl)-2-(5,6-dimethylbenzimidazol-1-yl)oxazol-5-yl]propionic acid Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=NC(=C(O3)CCC(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=NC(=C(O3)CCC(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O3/c1-12-9-16-17(10-13(12)2)25(11-23-16)21-24-20(14-3-5-15(22)6-4-14)18(28-21)7-8-19(26)27/h3-6,9-11H,7-8H2,1-2H3,(H,26,27)