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

Systemtic Name: tert-butyl 2-[4-[(2-butyl-4-cyclohexyl-4-methyl-5-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(2-butyl-4-cyclohexyl-4-methyl-5-oxo-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-butyl-4-cyclohexyl-4-methyl-5-oxo-1-imidazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-butyl-4-cyclohexyl-4-methyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-4-cyclohexyl-5-keto-4-methyl-2-imidazolin-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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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)(C)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O3/c1-6-7-17-28-33-32(5,25-13-9-8-10-14-25)30(36)34(28)22-23-18-20-24(21-19-23)26-15-11-12-16-27(26)29(35)37-31(2,3)4/h11-12,15-16,18-21,25H,6-10,13-14,17,22H2,1-5H3