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

Systemtic Name: methyl 6-[7-ethanoyl-3-(4-methylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[7-acetyl-2-phenyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[7-acetyl-3-(4-methylphenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[7-acetyl-3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[7-acetyl-2-phenyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=CC(=C3)OCCCCCC(=O)OC)C(=O)C)N=C2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=CC(=C3)OCCCCCC(=O)OC)C(=O)C)N=C2C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4/c1-20-13-15-23(16-14-20)31-26-19-24(35-17-9-5-8-12-27(33)34-3)18-25(21(2)32)28(26)30-29(31)22-10-6-4-7-11-22/h4,6-7,10-11,13-16,18-19H,5,8-9,12,17H2,1-3H3