[2-(nitrooxymethyl)phenyl]methyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: [2-(nitrooxymethyl)phenyl]methyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: [2-(nitrooxymethyl)phenyl]methyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid [2-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [2-(nitrooxymethyl)phenyl]methyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid [2-(nitrooxymethyl)benzyl] ester Formula: C41H37N5O5 MolecularWeight: 679.76298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OCC5=CC=CC=C5CO[N+](=O)[O-])C6=NC7=CC=CC=C7N6C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OCC5=CC=CC=C5CO[N+](=O)[O-])C6=NC7=CC=CC=C7N6C)C

InChI

InChI=1S/C41H37N5O5/c1-4-11-38-43-39-27(2)22-32(40-42-35-16-9-10-17-36(35)44(40)3)23-37(39)45(38)24-28-18-20-29(21-19-28)33-14-7-8-15-34(33)41(47)50-25-30-12-5-6-13-31(30)26-51-46(48)49/h5-10,12-23H,4,11,24-26H2,1-3H3