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

Systemtic Name: 5-nitrooxypentyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: 5-nitrooxypentyl 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 5-nitrooxypentyl ester IUPAC Name: 5-nitrooxypentyl 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 5-nitrooxypentyl ester Formula: C38H39N5O5 MolecularWeight: 645.74676

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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)OCCCCCO[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)OCCCCCO[N+](=O)[O-])C5=NC6=CC=CC=C6N5C)C

InChI

InChI=1S/C38H39N5O5/c1-4-12-35-40-36-26(2)23-29(37-39-32-15-8-9-16-33(32)41(37)3)24-34(36)42(35)25-27-17-19-28(20-18-27)30-13-6-7-14-31(30)38(44)47-21-10-5-11-22-48-43(45)46/h6-9,13-20,23-24H,4-5,10-12,21-22,25H2,1-3H3