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

Systemtic Name: methyl 6-[2-phenyl-3-(phenylmethyl)benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-(3-benzyl-2-phenyl-benzimidazol-5-yl)oxyhexanoate CAS Name: 6-[[2-phenyl-3-(phenylmethyl)-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-(3-benzyl-2-phenylbenzimidazol-5-yl)oxyhexanoate Traditional Name: 6-(3-benzyl-2-phenyl-benzimidazol-5-yl)oxyhexanoic acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c1-31-26(30)15-9-4-10-18-32-23-16-17-24-25(19-23)29(20-21-11-5-2-6-12-21)27(28-24)22-13-7-3-8-14-22/h2-3,5-8,11-14,16-17,19H,4,9-10,15,18,20H2,1H3