tert-butyl 2-[3-[2-[(4-chloranylphenoxy)methyl]-5-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[3-[2-[(4-chloranylphenoxy)methyl]-5-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3-[2-[(4-chlorophenoxy)methyl]-5-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 2-[3-[2-[(4-chlorophenoxy)methyl]-5-methyl-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[2-[(4-chlorophenoxy)methyl]-5-methylbenzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 2-[3-[2-[(4-chlorophenoxy)methyl]-5-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=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CCCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CCCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C28H36ClN3O3/c1-20-10-15-25-24(18-20)30-26(19-34-23-13-11-21(29)12-14-23)32(25)17-7-9-22-8-5-6-16-31(22)27(33)35-28(2,3)4/h10-15,18,22H,5-9,16-17,19H2,1-4H3