dimethyl (Z)-2-[(2R,3S)-2-phenyl-3-(phenylmethyl)aziridin-1-yl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[(2R,3S)-2-phenyl-3-(phenylmethyl)aziridin-1-yl]but-2-enedioate Openeye Name: dimethyl (Z)-2-[(2S,3R)-2-benzyl-3-phenyl-aziridin-1-yl]but-2-enedioate CAS Name: (Z)-2-[(2R,3S)-2-phenyl-3-(phenylmethyl)-1-aziridinyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[(2S,3R)-2-benzyl-3-phenylaziridin-1-yl]but-2-enedioate Traditional Name: (Z)-2-[(2S,3R)-2-benzyl-3-phenyl-ethylenimin-1-yl]but-2-enedioic acid dimethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1C(C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C(/C(=O)OC)\N1[C@H]([C@H]1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-25-19(23)14-18(21(24)26-2)22-17(13-15-9-5-3-6-10-15)20(22)16-11-7-4-8-12-16/h3-12,14,17,20H,13H2,1-2H3/b18-14-/t17-,20+,22?/m0/s1