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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-4-(cyclohexylmethyl)-4-methyl-5-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-4-(cyclohexylmethyl)-4-methyl-5-oxo-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-(cyclohexylmethyl)-4-methyl-5-oxo-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-4-(cyclohexylmethyl)-4-methyl-5-oxoimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-4-(cyclohexylmethyl)-5-keto-4-methyl-2-imidazolin-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H44N2O3 MolecularWeight: 516.71406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)(C)CC4CCCCC4

Isomeric SMILES

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)(C)CC4CCCCC4

InChI

InChI=1S/C33H44N2O3/c1-6-7-17-29-34-33(5,22-24-13-9-8-10-14-24)31(37)35(29)23-25-18-20-26(21-19-25)27-15-11-12-16-28(27)30(36)38-32(2,3)4/h11-12,15-16,18-21,24H,6-10,13-14,17,22-23H2,1-5H3