(2S)-1-[(4-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid; N-ethylethanamine

Systemtic Name: (2S)-1-[(4-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid; N-ethylethanamine Openeye Name: (2S)-1-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidine-2-carboxylic acid; N-ethylethanamine CAS Name: (2S)-1-[(4-chlorophenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid; N-ethylethanamine IUPAC Name: (2S)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid; N-ethylethanamine Traditional Name: (2S)-1-(4-chlorobenzyl)-5-keto-proline; diethylamine Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1CC(=O)N(C1C(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCNCC.C1CC(=O)N([C@@H]1C(=O)O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClNO3.C4H11N/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15;1-3-5-4-2/h1-4,10H,5-7H2,(H,16,17);5H,3-4H2,1-2H3/t10-;/m0./s1