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

Systemtic Name: tert-butyl 2-[4-[[4-aminocarbonyl-2-butyl-5-(1-hydroxyethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-4-carbamoyl-5-(1-hydroxyethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-carbamoyl-5-(1-hydroxyethyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-4-carbamoyl-5-(1-hydroxyethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-4-carbamoyl-5-(1-hydroxyethyl)imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(C)O)C(=O)N

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(C)O)C(=O)N

InChI

InChI=1S/C28H35N3O4/c1-6-7-12-23-30-24(26(29)33)25(18(2)32)31(23)17-19-13-15-20(16-14-19)21-10-8-9-11-22(21)27(34)35-28(3,4)5/h8-11,13-16,18,32H,6-7,12,17H2,1-5H3,(H2,29,33)