2-[4-(2-acetamido-2-phenyl-ethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(2-acetamido-2-phenyl-ethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(2-acetamido-2-phenyl-ethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(2-acetamido-2-phenylethoxy)phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-(2-acetamido-2-phenylethoxy)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-(2-acetamido-2-phenyl-ethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC(COC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O4/c1-20(34)31-27(21-8-4-2-5-9-21)19-37-25-15-12-22(13-16-25)29-32-26-18-23(30(35)36)14-17-28(26)33(29)24-10-6-3-7-11-24/h2,4-5,8-9,12-18,24,27H,3,6-7,10-11,19H2,1H3,(H,31,34)(H,35,36)