O1-tert-butyl O2-methyl (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]aziridine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]aziridine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]aziridine-1,2-dicarboxylate CAS Name: (2R,3S)-3-[(3-cyano-1-indolyl)methyl]aziridine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]aziridine-1,2-dicarboxylate Traditional Name: (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]ethylenimine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C1C(=O)OC)CN2C=C(C3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@@H]1C(=O)OC)CN2C=C(C3=CC=CC=C32)C#N

InChI

InChI=1S/C19H21N3O4/c1-19(2,3)26-18(24)22-15(16(22)17(23)25-4)11-21-10-12(9-20)13-7-5-6-8-14(13)21/h5-8,10,15-16H,11H2,1-4H3/t15-,16+,22?/m0/s1