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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-4-cyano-5-(1-hydroxyethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-4-cyano-5-(1-hydroxyethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-cyano-5-(1-hydroxyethyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-4-cyano-5-(1-hydroxyethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-4-cyano-5-(1-hydroxyethyl)imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3/c1-6-7-12-25-30-24(17-29)26(19(2)32)31(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)27(33)34-28(3,4)5/h8-11,13-16,19,32H,6-7,12,18H2,1-5H3