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

Systemtic Name: tert-butyl 3-[3-[2-[(2-chloranylphenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 3-[3-[2-[(2-chlorophenoxy)methyl]-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 3-[3-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34ClN3O3 MolecularWeight: 484.03016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CCCN2C3=CC=CC=C3N=C2COC4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CCCN2C3=CC=CC=C3N=C2COC4=CC=CC=C4Cl

InChI

InChI=1S/C27H34ClN3O3/c1-27(2,3)34-26(32)30-16-8-10-20(18-30)11-9-17-31-23-14-6-5-13-22(23)29-25(31)19-33-24-15-7-4-12-21(24)28/h4-7,12-15,20H,8-11,16-19H2,1-3H3