methyl 6-[3-(4-dimethylaminophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[3-(4-dimethylaminophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[3-(4-dimethylaminophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-(4-dimethylaminophenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(4-dimethylaminophenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[3-(4-dimethylaminophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-30(2)22-13-15-23(16-14-22)31-26-20-24(34-19-9-5-8-12-27(32)33-3)17-18-25(26)29-28(31)21-10-6-4-7-11-21/h4,6-7,10-11,13-18,20H,5,8-9,12,19H2,1-3H3