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

Systemtic Name: tert-butyl 5-[[2-butyl-4-cyano-5-(1-hydroxyethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-4-cyano-5-(1-hydroxyethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-cyano-5-(1-hydroxyethyl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-4-cyano-5-(1-hydroxyethyl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-cyano-5-(1-hydroxyethyl)imidazol-1-yl]methyl]-2-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=C3)C(=O)OC(C)(C)C)C(C)O)C#N

Isomeric SMILES

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

InChI

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