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

Systemtic Name: tert-butyl 3-[3-[2-[(3-chloranylphenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 3-[3-[2-[(3-chlorophenoxy)methyl]-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 3-[3-[2-[(3-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=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CCCN2C3=CC=CC=C3N=C2COC4=CC(=CC=C4)Cl

InChI

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