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

Systemtic Name: tert-butyl 2-[4-[(2-butyl-4,4-dimethyl-5-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(2-butyl-4,4-dimethyl-5-oxo-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-butyl-4,4-dimethyl-5-oxo-1-imidazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-5-keto-4,4-dimethyl-2-imidazolin-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3/c1-7-8-13-23-28-27(5,6)25(31)29(23)18-19-14-16-20(17-15-19)21-11-9-10-12-22(21)24(30)32-26(2,3)4/h9-12,14-17H,7-8,13,18H2,1-6H3