methyl 6-[2-pentyl-3-(phenylmethyl)benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[2-pentyl-3-(phenylmethyl)benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-(3-benzyl-2-pentyl-benzimidazol-5-yl)oxyhexanoate CAS Name: 6-[[2-pentyl-3-(phenylmethyl)-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-(3-benzyl-2-pentylbenzimidazol-5-yl)oxyhexanoate Traditional Name: 6-(2-amyl-3-benzyl-benzimidazol-5-yl)oxyhexanoic acid methyl ester Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)OCCCCCC(=O)OC

Isomeric SMILES

CCCCCC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)OCCCCCC(=O)OC

InChI

InChI=1S/C26H34N2O3/c1-3-4-7-14-25-27-23-17-16-22(31-18-11-6-10-15-26(29)30-2)19-24(23)28(25)20-21-12-8-5-9-13-21/h5,8-9,12-13,16-17,19H,3-4,6-7,10-11,14-15,18,20H2,1-2H3