tert-butyl 5-[[4-aminocarbonyl-5-(1-oxidanylbutyl)-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoate

Systemtic Name: tert-butyl 5-[[4-aminocarbonyl-5-(1-oxidanylbutyl)-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[4-carbamoyl-5-(1-hydroxybutyl)-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[4-carbamoyl-5-(1-hydroxybutyl)-2-propyl-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[4-carbamoyl-5-(1-hydroxybutyl)-2-propylimidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[4-carbamoyl-5-(1-hydroxybutyl)-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(CCC)O)C(=O)N

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(CCC)O)C(=O)N

InChI

InChI=1S/C29H37N3O4/c1-6-11-23(33)26-25(27(30)34)31-24(12-7-2)32(26)18-19-15-16-21(20-13-9-8-10-14-20)22(17-19)28(35)36-29(3,4)5/h8-10,13-17,23,33H,6-7,11-12,18H2,1-5H3,(H2,30,34)