methyl 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexanecarboxylate CAS Name: 1-[[4-[(2-butyl-1-benzimidazolyl)methyl]phenoxy]methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexane-1-carboxylate Traditional Name: 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexanecarboxylic acid methyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)OCC4(CCCCC4)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)OCC4(CCCCC4)C(=O)OC

InChI

InChI=1S/C27H34N2O3/c1-3-4-12-25-28-23-10-6-7-11-24(23)29(25)19-21-13-15-22(16-14-21)32-20-27(26(30)31-2)17-8-5-9-18-27/h6-7,10-11,13-16H,3-5,8-9,12,17-20H2,1-2H3