methyl 6-[3-(1,3-benzodioxol-5-yl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[3-(1,3-benzodioxol-5-yl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[3-(1,3-benzodioxol-5-yl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-(1,3-benzodioxol-5-yl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(1,3-benzodioxol-5-yl)-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[3-(1,3-benzodioxol-5-yl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O5/c1-31-26(30)10-6-3-7-15-32-21-12-13-22-23(17-21)29(27(28-22)19-8-4-2-5-9-19)20-11-14-24-25(16-20)34-18-33-24/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15,18H2,1H3