2-(4-chlorophenyl)-2-ethanoyl-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-2-ethanoyl-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid Openeye Name: 2-acetyl-2-(4-chlorophenyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid CAS Name: 2-acetyl-2-(4-chlorophenyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid IUPAC Name: 2-acetyl-2-(4-chlorophenyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid Traditional Name: 2-acetyl-2-(4-chlorophenyl)-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid Formula: C18H24ClN3O3 MolecularWeight: 365.85446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(NCCN1C(=O)O)CN2CCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1(C(NCCN1C(=O)O)CN2CCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H24ClN3O3/c1-13(23)18(14-4-6-15(19)7-5-14)16(12-21-9-2-3-10-21)20-8-11-22(18)17(24)25/h4-7,16,20H,2-3,8-12H2,1H3,(H,24,25)