methyl (2S,4S)-4-(4-chloranyl-3-methyl-phenoxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(4-chloranyl-3-methyl-phenoxy)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-chloro-3-methyl-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(4-chloro-3-methylphenoxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-chloro-3-methylphenoxy)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(4-chloro-3-methyl-phenoxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C13H16ClNO3 MolecularWeight: 269.72404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2CC(NC2)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@H]2C[C@H](NC2)C(=O)OC)Cl

InChI

InChI=1S/C13H16ClNO3/c1-8-5-9(3-4-11(8)14)18-10-6-12(15-7-10)13(16)17-2/h3-5,10,12,15H,6-7H2,1-2H3/t10-,12-/m0/s1