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

Systemtic Name: tert-butyl 3-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 3-[3-[2-(4-chlorophenyl)-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 3-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CCCN2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CCCN2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H32ClN3O2/c1-26(2,3)32-25(31)29-16-6-8-19(18-29)9-7-17-30-23-11-5-4-10-22(23)28-24(30)20-12-14-21(27)15-13-20/h4-5,10-15,19H,6-9,16-18H2,1-3H3