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

Systemtic Name: tert-butyl 5-[[4-aminocarbonyl-2-butyl-5-(1-oxidanylbutyl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-4-carbamoyl-5-(1-hydroxybutyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-carbamoyl-5-(1-hydroxybutyl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-4-carbamoyl-5-(1-hydroxybutyl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-carbamoyl-5-(1-hydroxybutyl)imidazol-1-yl]methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C30H39N3O4/c1-6-8-15-25-32-26(28(31)35)27(24(34)12-7-2)33(25)19-20-16-17-22(21-13-10-9-11-14-21)23(18-20)29(36)37-30(3,4)5/h9-11,13-14,16-18,24,34H,6-8,12,15,19H2,1-5H3,(H2,31,35)