2-[2-[1-(3-cyano-4-phenyl-phenyl)-2-methyl-butyl]-1H-benzimidazol-4-yl]butanoic acid

Systemtic Name: 2-[2-[1-(3-cyano-4-phenyl-phenyl)-2-methyl-butyl]-1H-benzimidazol-4-yl]butanoic acid Openeye Name: 2-[2-[1-(3-cyano-4-phenyl-phenyl)-2-methyl-butyl]-1H-benzimidazol-4-yl]butanoic acid CAS Name: 2-[2-[1-(3-cyano-4-phenylphenyl)-2-methylbutyl]-1H-benzimidazol-4-yl]butanoic acid IUPAC Name: 2-[2-[1-(3-cyano-4-phenylphenyl)-2-methylbutyl]-1H-benzimidazol-4-yl]butanoic acid Traditional Name: 2-[2-[1-(3-cyano-4-phenyl-phenyl)-2-methyl-butyl]-1H-benzimidazol-4-yl]butyric acid Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C3=NC4=C(C=CC=C4N3)C(CC)C(=O)O

Isomeric SMILES

CCC(C)C(C1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C3=NC4=C(C=CC=C4N3)C(CC)C(=O)O

InChI

InChI=1S/C29H29N3O2/c1-4-18(3)26(20-14-15-23(21(16-20)17-30)19-10-7-6-8-11-19)28-31-25-13-9-12-24(27(25)32-28)22(5-2)29(33)34/h6-16,18,22,26H,4-5H2,1-3H3,(H,31,32)(H,33,34)