[(2R,3S)-3-[5-(3-oxidanylidenepropyl)-1,3-oxazol-2-yl]-1-(phenylmethyl)aziridin-2-yl]methyl benzoate

Systemtic Name: [(2R,3S)-3-[5-(3-oxidanylidenepropyl)-1,3-oxazol-2-yl]-1-(phenylmethyl)aziridin-2-yl]methyl benzoate Openeye Name: [(2R,3S)-1-benzyl-3-[5-(3-oxopropyl)oxazol-2-yl]aziridin-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S)-3-[5-(3-oxopropyl)-2-oxazolyl]-1-(phenylmethyl)-2-aziridinyl]methyl ester IUPAC Name: [(2R,3S)-1-benzyl-3-[5-(3-oxopropyl)-1,3-oxazol-2-yl]aziridin-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S)-1-benzyl-3-[5-(3-ketopropyl)oxazol-2-yl]ethylenimin-2-yl]methyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C2C3=NC=C(O3)CCC=O)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@H]([C@H]2C3=NC=C(O3)CCC=O)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4/c26-13-7-12-19-14-24-22(29-19)21-20(25(21)15-17-8-3-1-4-9-17)16-28-23(27)18-10-5-2-6-11-18/h1-6,8-11,13-14,20-21H,7,12,15-16H2/t20-,21-,25?/m0/s1