methyl 6-[3-[3-(3-imidazol-1-ylpropylamino)propyl]-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[3-[3-(3-imidazol-1-ylpropylamino)propyl]-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[3-[3-(3-imidazol-1-ylpropylamino)propyl]-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-[3-[3-(1-imidazolyl)propylamino]propyl]-2-(4-methoxyphenyl)-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-[3-(3-imidazol-1-ylpropylamino)propyl]-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[3-[3-(3-imidazol-1-ylpropylamino)propyl]-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C30H39N5O4 MolecularWeight: 533.66176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2CCCNCCCN4C=CN=C4)C=C(C=C3)OCCCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2CCCNCCCN4C=CN=C4)C=C(C=C3)OCCCCCC(=O)OC

InChI

InChI=1S/C30H39N5O4/c1-37-25-11-9-24(10-12-25)30-33-27-14-13-26(39-21-5-3-4-8-29(36)38-2)22-28(27)35(30)19-7-16-31-15-6-18-34-20-17-32-23-34/h9-14,17,20,22-23,31H,3-8,15-16,18-19,21H2,1-2H3