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

Systemtic Name: tert-butyl 3-[4-[2-[(4-chloranylphenoxy)methyl]benzimidazol-1-yl]butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]butyl]piperidine-1-carboxylate CAS Name: 3-[4-[2-[(4-chlorophenoxy)methyl]-1-benzimidazolyl]butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]butyl]piperidine-1-carboxylate Traditional Name: 3-[4-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CCCCN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CCCCN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H36ClN3O3/c1-28(2,3)35-27(33)31-17-8-10-21(19-31)9-6-7-18-32-25-12-5-4-11-24(25)30-26(32)20-34-23-15-13-22(29)14-16-23/h4-5,11-16,21H,6-10,17-20H2,1-3H3