[(1S)-1-[(2S,4S)-2-tert-butyl-1-methyl-5-oxidanylidene-imidazolidin-4-yl]-2-(4-nitrophenyl)ethyl] benzoate

Systemtic Name: [(1S)-1-[(2S,4S)-2-tert-butyl-1-methyl-5-oxidanylidene-imidazolidin-4-yl]-2-(4-nitrophenyl)ethyl] benzoate Openeye Name: [(1S)-1-[(2S,4S)-2-tert-butyl-1-methyl-5-oxo-imidazolidin-4-yl]-2-(4-nitrophenyl)ethyl] benzoate CAS Name: benzoic acid [(1S)-1-[(2S,4S)-2-tert-butyl-1-methyl-5-oxo-4-imidazolidinyl]-2-(4-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-[(2S,4S)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]-2-(4-nitrophenyl)ethyl] benzoate Traditional Name: benzoic acid [(1S)-1-[(2S,4S)-2-tert-butyl-5-keto-1-methyl-imidazolidin-4-yl]-2-(4-nitrophenyl)ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1NC(C(=O)N1C)C(CC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@H]1N[C@H](C(=O)N1C)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5/c1-23(2,3)22-24-19(20(27)25(22)4)18(31-21(28)16-8-6-5-7-9-16)14-15-10-12-17(13-11-15)26(29)30/h5-13,18-19,22,24H,14H2,1-4H3/t18-,19-,22-/m0/s1