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

Systemtic Name: methyl 6-[3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-[3-(1-imidazolyl)propyl]-2-(4-methoxyphenyl)-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2CCCN4C=CN=C4)C=C(C=C3)OCCCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2CCCN4C=CN=C4)C=C(C=C3)OCCCCCC(=O)OC

InChI

InChI=1S/C27H32N4O4/c1-33-22-10-8-21(9-11-22)27-29-24-13-12-23(35-18-5-3-4-7-26(32)34-2)19-25(24)31(27)16-6-15-30-17-14-28-20-30/h8-14,17,19-20H,3-7,15-16,18H2,1-2H3