tert-butyl 2-[4-[(2-chloranylbenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[(2-chloranylbenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate Openeye Name: tert-butyl 2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexanecarboxylate CAS Name: 2-[4-[(2-chloro-1-benzimidazolyl)methyl]phenyl]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate Traditional Name: 2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexanecarboxylic acid tert-butyl ester Formula: C25H29ClN2O2 MolecularWeight: 424.96296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCCC1C2=CC=C(C=C2)CN3C4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCCC1C2=CC=C(C=C2)CN3C4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C25H29ClN2O2/c1-25(2,3)30-23(29)20-9-5-4-8-19(20)18-14-12-17(13-15-18)16-28-22-11-7-6-10-21(22)27-24(28)26/h6-7,10-15,19-20H,4-5,8-9,16H2,1-3H3