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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)(CC)C4CCCCC4

Isomeric SMILES

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)(CC)C4CCCCC4

InChI

InChI=1S/C33H44N2O3/c1-6-8-18-29-34-33(7-2,26-14-10-9-11-15-26)31(37)35(29)23-24-19-21-25(22-20-24)27-16-12-13-17-28(27)30(36)38-32(3,4)5/h12-13,16-17,19-22,26H,6-11,14-15,18,23H2,1-5H3