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

Systemtic Name: tert-butyl 2-[4-[(4-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(4-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4-acetamido-2-butyl-1-benzimidazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-acetamido-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4-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=C2NC(=O)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=CC=C2NC(=O)C

InChI

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