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

Systemtic Name: tert-butyl 4-[3-[2-[(4-chloranylphenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[2-[(4-chlorophenoxy)methyl]-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34ClN3O3 MolecularWeight: 484.03016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

InChI

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