methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(allylcarbamoyl)-5-(3-chlorophenyl)-1-methyl-pyrrolidine-2-carboxylate CAS Name: (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-[oxo-(prop-2-enylamino)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S,5R)-4-(allylcarbamoyl)-5-(3-chlorophenyl)-1-methyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1C2=CC(=CC=C2)Cl)C(=O)NCC=C)C(=O)OC

Isomeric SMILES

CN1[C@@H](C[C@@H]([C@@H]1C2=CC(=CC=C2)Cl)C(=O)NCC=C)C(=O)OC

InChI

InChI=1S/C17H21ClN2O3/c1-4-8-19-16(21)13-10-14(17(22)23-3)20(2)15(13)11-6-5-7-12(18)9-11/h4-7,9,13-15H,1,8,10H2,2-3H3,(H,19,21)/t13-,14-,15-/m0/s1