tert-butyl 2-[4-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-butyl-4-nitro-1-benzimidazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-butyl-4-nitrobenzimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C29H31N3O4/c1-5-6-14-26-30-27-24(12-9-13-25(27)32(34)35)31(26)19-20-15-17-21(18-16-20)22-10-7-8-11-23(22)28(33)36-29(2,3)4/h7-13,15-18H,5-6,14,19H2,1-4H3