dimethyl (2S,3S)-2-isoquinolin-1-yl-1-phenyl-aziridine-2,3-dicarboxylate

Systemtic Name: dimethyl (2S,3S)-2-isoquinolin-1-yl-1-phenyl-aziridine-2,3-dicarboxylate Openeye Name: dimethyl (2S,3S)-2-(1-isoquinolyl)-1-phenyl-aziridine-2,3-dicarboxylate CAS Name: (2S,3S)-2-(1-isoquinolinyl)-1-phenylaziridine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,3S)-2-isoquinolin-1-yl-1-phenylaziridine-2,3-dicarboxylate Traditional Name: (2S,3S)-2-(1-isoquinolyl)-1-phenyl-ethylenimine-2,3-dicarboxylic acid dimethyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N1C2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1[C@](N1C2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H18N2O4/c1-26-19(24)18-21(20(25)27-2,23(18)15-9-4-3-5-10-15)17-16-11-7-6-8-14(16)12-13-22-17/h3-13,18H,1-2H3/t18-,21-,23?/m1/s1