methyl (2R,3S)-2-chloranyl-3-(4-phenylbutyl)aziridine-2-carboxylate

Systemtic Name: methyl (2R,3S)-2-chloranyl-3-(4-phenylbutyl)aziridine-2-carboxylate Openeye Name: methyl (2R,3S)-2-chloro-3-(4-phenylbutyl)aziridine-2-carboxylate CAS Name: (2R,3S)-2-chloro-3-(4-phenylbutyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-2-chloro-3-(4-phenylbutyl)aziridine-2-carboxylate Traditional Name: (2R,3S)-2-chloro-3-(4-phenylbutyl)ethylenimine-2-carboxylic acid methyl ester Formula: C14H18ClNO2 MolecularWeight: 267.75122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(N1)CCCCC2=CC=CC=C2)Cl

Isomeric SMILES

COC(=O)[C@@]1([C@@H](N1)CCCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C14H18ClNO2/c1-18-13(17)14(15)12(16-14)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3/t12-,14-/m0/s1