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

Systemtic Name: tert-butyl 5-[[4-aminocarbonyl-2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-4-carbamoyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-carbamoyl-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-4-carbamoyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[(2-butyl-4-carbamoyl-5-methylol-imidazol-1-yl)methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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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)CO)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4/c1-5-6-12-23-29-24(25(28)32)22(17-31)30(23)16-18-13-14-20(19-10-8-7-9-11-19)21(15-18)26(33)34-27(2,3)4/h7-11,13-15,31H,5-6,12,16-17H2,1-4H3,(H2,28,32)