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

Systemtic Name: tert-butyl 5-[[2-butyl-4-cyano-5-(2-methyl-1-oxidanyl-propyl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-4-cyano-5-(1-hydroxy-2-methyl-propyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-cyano-5-(1-hydroxy-2-methylpropyl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-4-cyano-5-(1-hydroxy-2-methylpropyl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-cyano-5-(1-hydroxy-2-methyl-propyl)imidazol-1-yl]methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C30H37N3O3 MolecularWeight: 487.63308

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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(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(C)C)O)C#N

InChI

InChI=1S/C30H37N3O3/c1-7-8-14-26-32-25(18-31)27(28(34)20(2)3)33(26)19-21-15-16-23(22-12-10-9-11-13-22)24(17-21)29(35)36-30(4,5)6/h9-13,15-17,20,28,34H,7-8,14,19H2,1-6H3