tert-butyl 3-[3-[2-[(4-chloranylphenoxy)methyl]-7-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-[2-[(4-chloranylphenoxy)methyl]-7-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[2-[(4-chlorophenoxy)methyl]-7-methyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 3-[3-[2-[(4-chlorophenoxy)methyl]-7-methyl-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-[(4-chlorophenoxy)methyl]-7-methylbenzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 3-[3-[2-[(4-chlorophenoxy)methyl]-7-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(N2CCCC3CCCN(C3)C(=O)OC(C)(C)C)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N2CCCC3CCCN(C3)C(=O)OC(C)(C)C)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H36ClN3O3/c1-20-8-5-11-24-26(20)32(25(30-24)19-34-23-14-12-22(29)13-15-23)17-7-10-21-9-6-16-31(18-21)27(33)35-28(2,3)4/h5,8,11-15,21H,6-7,9-10,16-19H2,1-4H3