methyl 6-[3-(4-methylphenyl)-7-oxidanyl-2-phenyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[3-(4-methylphenyl)-7-oxidanyl-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[7-hydroxy-2-phenyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[7-hydroxy-3-(4-methylphenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[7-hydroxy-3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[7-hydroxy-2-phenyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC(=CC(=C3N=C2C4=CC=CC=C4)O)OCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC(=CC(=C3N=C2C4=CC=CC=C4)O)OCCCCCC(=O)OC

InChI

InChI=1S/C27H28N2O4/c1-19-12-14-21(15-13-19)29-23-17-22(33-16-8-4-7-11-25(31)32-2)18-24(30)26(23)28-27(29)20-9-5-3-6-10-20/h3,5-6,9-10,12-15,17-18,30H,4,7-8,11,16H2,1-2H3