ethyl 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-ethanoate Openeye Name: ethyl 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-acetate CAS Name: 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenoxy]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenylacetate Traditional Name: 2-[2,6-dimethoxy-4-[[6-methyl-1-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-acetic acid ethyl ester Formula: C38H41N4O5+ MolecularWeight: 633.75594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C([N+]1(CC3=CC(=C(C(=C3)OC)OC(C4=CC=CC=C4)C(=O)OCC)OC)C5=NC6=CC=CC=C6N5C)C=C(C=C2)C

Isomeric SMILES

CCCC1=NC2=C([N+]1(CC3=CC(=C(C(=C3)OC)OC(C4=CC=CC=C4)C(=O)OCC)OC)C5=NC6=CC=CC=C6N5C)C=C(C=C2)C

InChI

InChI=1S/C38H41N4O5/c1-7-14-34-39-29-20-19-25(3)21-31(29)42(34,38-40-28-17-12-13-18-30(28)41(38)4)24-26-22-32(44-5)36(33(23-26)45-6)47-35(37(43)46-8-2)27-15-10-9-11-16-27/h9-13,15-23,35H,7-8,14,24H2,1-6H3/q+1