tert-butyl 2-[4-[(5-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(5-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(5-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(5-acetamido-2-butyl-1-benzimidazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-acetamido-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(5-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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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)NC(=O)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=CC(=C2)NC(=O)C

InChI

InChI=1S/C31H35N3O3/c1-6-7-12-29-33-27-19-24(32-21(2)35)17-18-28(27)34(29)20-22-13-15-23(16-14-22)25-10-8-9-11-26(25)30(36)37-31(3,4)5/h8-11,13-19H,6-7,12,20H2,1-5H3,(H,32,35)