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

Systemtic Name: tert-butyl 3-[3-[2-[(4-chloranylphenoxy)methyl]-5-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[2-[(4-chlorophenoxy)methyl]-5-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 3-[3-[2-[(4-chlorophenoxy)methyl]-5-methyl-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-[(4-chlorophenoxy)methyl]-5-methylbenzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 3-[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)CCCC4CCCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CCCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H36ClN3O3/c1-20-9-14-25-24(17-20)30-26(19-34-23-12-10-22(29)11-13-23)32(25)16-6-8-21-7-5-15-31(18-21)27(33)35-28(2,3)4/h9-14,17,21H,5-8,15-16,18-19H2,1-4H3