tert-butyl 2-[3-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[3-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 2-[3-[2-[(4-chlorophenoxy)methyl]-4-methyl-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 2-[3-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CCCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CCCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C28H36ClN3O3/c1-20-9-7-12-24-26(20)30-25(19-34-23-15-13-21(29)14-16-23)32(24)18-8-11-22-10-5-6-17-31(22)27(33)35-28(2,3)4/h7,9,12-16,22H,5-6,8,10-11,17-19H2,1-4H3