methyl 2-[2-[4-[[2-butyl-5-cyano-4-(2,2-dimethyl-1-oxidanyl-propyl)imidazol-1-yl]methyl]phenyl]phenyl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[2-[4-[[2-butyl-5-cyano-4-(2,2-dimethyl-1-oxidanyl-propyl)imidazol-1-yl]methyl]phenyl]phenyl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[2-[4-[[2-butyl-5-cyano-4-(1-hydroxy-2,2-dimethyl-propyl)imidazol-1-yl]methyl]phenyl]phenyl]-2-oxo-acetate CAS Name: 2-[2-[4-[[2-butyl-5-cyano-4-(1-hydroxy-2,2-dimethylpropyl)-1-imidazolyl]methyl]phenyl]phenyl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[2-[4-[[2-butyl-5-cyano-4-(1-hydroxy-2,2-dimethylpropyl)imidazol-1-yl]methyl]phenyl]phenyl]-2-oxoacetate Traditional Name: 2-[2-[4-[[2-butyl-5-cyano-4-(1-hydroxy-2,2-dimethyl-propyl)imidazol-1-yl]methyl]phenyl]phenyl]-2-keto-acetic acid methyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O4/c1-6-7-12-24-31-25(27(34)29(2,3)4)23(17-30)32(24)18-19-13-15-20(16-14-19)21-10-8-9-11-22(21)26(33)28(35)36-5/h8-11,13-16,27,34H,6-7,12,18H2,1-5H3