2-[4-[[2-butyl-6-[(7-cyclohexyl-7-oxidanylidene-heptyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[2-butyl-6-[(7-cyclohexyl-7-oxidanylidene-heptyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[2-butyl-6-[(7-cyclohexyl-7-oxo-heptyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[(7-cyclohexyl-7-oxoheptyl)amino]-1-benzimidazolyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[2-butyl-6-[(7-cyclohexyl-7-oxoheptyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-[(7-cyclohexyl-7-keto-heptyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate Formula: C38H46N3O3- MolecularWeight: 592.79014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2)NCCCCCCC(=O)C5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2)NCCCCCCC(=O)C5CCCCC5

InChI

InChI=1S/C38H47N3O3/c1-2-3-18-37-40-34-24-23-31(39-25-12-5-4-9-17-36(42)30-13-7-6-8-14-30)26-35(34)41(37)27-28-19-21-29(22-20-28)32-15-10-11-16-33(32)38(43)44/h10-11,15-16,19-24,26,30,39H,2-9,12-14,17-18,25,27H2,1H3,(H,43,44)/p-1