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

Systemtic Name: tert-butyl 3-[3-[2-[(4-chloranylphenoxy)methyl]-4-oxidanyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[2-[(4-chlorophenoxy)methyl]-4-hydroxy-benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 3-[3-[2-[(4-chlorophenoxy)methyl]-4-hydroxy-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-[(4-chlorophenoxy)methyl]-4-hydroxybenzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 3-[3-[2-[(4-chlorophenoxy)methyl]-4-hydroxy-benzimidazol-1-yl]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34ClN3O4 MolecularWeight: 500.02956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CCCN2C3=C(C(=CC=C3)O)N=C2COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CCCN2C3=C(C(=CC=C3)O)N=C2COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H34ClN3O4/c1-27(2,3)35-26(33)30-15-5-7-19(17-30)8-6-16-31-22-9-4-10-23(32)25(22)29-24(31)18-34-21-13-11-20(28)12-14-21/h4,9-14,19,32H,5-8,15-18H2,1-3H3