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

Systemtic Name: 3-nitrooxypropyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: 3-nitrooxypropyl 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-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl 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-nitrooxypropyl ester Formula: C36H35N5O5 MolecularWeight: 617.6936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OCCCO[N+](=O)[O-])C5=NC6=CC=CC=C6N5C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OCCCO[N+](=O)[O-])C5=NC6=CC=CC=C6N5C)C

InChI

InChI=1S/C36H35N5O5/c1-4-10-33-38-34-24(2)21-27(35-37-30-13-7-8-14-31(30)39(35)3)22-32(34)40(33)23-25-15-17-26(18-16-25)28-11-5-6-12-29(28)36(42)45-19-9-20-46-41(43)44/h5-8,11-18,21-22H,4,9-10,19-20,23H2,1-3H3