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

Systemtic Name: [3-(nitrooxymethyl)phenyl] 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: [3-(nitrooxymethyl)phenyl] 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 [3-(nitrooxymethyl)phenyl] ester IUPAC Name: [3-(nitrooxymethyl)phenyl] 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 [3-(nitrooxymethyl)phenyl] ester Formula: C40H35N5O5 MolecularWeight: 665.7364

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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)OC5=CC=CC(=C5)CO[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)OC5=CC=CC(=C5)CO[N+](=O)[O-])C6=NC7=CC=CC=C7N6C)C

InChI

InChI=1S/C40H35N5O5/c1-4-10-37-42-38-26(2)21-30(39-41-34-15-7-8-16-35(34)43(39)3)23-36(38)44(37)24-27-17-19-29(20-18-27)32-13-5-6-14-33(32)40(46)50-31-12-9-11-28(22-31)25-49-45(47)48/h5-9,11-23H,4,10,24-25H2,1-3H3