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

Systemtic Name: tert-butyl 2-[4-[[4-aminocarbonyl-2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-4-carbamoyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-carbamoyl-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-4-carbamoyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-4-carbamoyl-5-methylol-imidazol-1-yl)methyl]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=C3C(=O)OC(C)(C)C)CO)C(=O)N

Isomeric SMILES

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

InChI

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