4-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-[(4-chlorophenoxy)methyl]-4-methyl-1-benzimidazolyl]-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]butanoic acid Traditional Name: 2-benzyl-4-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]butyric acid Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H25ClN2O3/c1-18-6-5-9-23-25(18)28-24(17-32-22-12-10-21(27)11-13-22)29(23)15-14-20(26(30)31)16-19-7-3-2-4-8-19/h2-13,20H,14-17H2,1H3,(H,30,31)