2-(3,4-dichlorophenyl)-1-ethanoyl-2-(pyrrolidin-1-ylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 2-(3,4-dichlorophenyl)-1-ethanoyl-2-(pyrrolidin-1-ylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-acetyl-2-(3,4-dichlorophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-4-carboxylic acid CAS Name: 1-acetyl-2-(3,4-dichlorophenyl)-2-(1-pyrrolidinylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-acetyl-2-(3,4-dichlorophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-4-carboxylic acid Traditional Name: 1-acetyl-2-(3,4-dichlorophenyl)-2-(pyrrolidinomethyl)isonipecotic acid Formula: C19H24Cl2N2O3 MolecularWeight: 399.31146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1(CN2CCCC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC(=O)N1CCC(CC1(CN2CCCC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H24Cl2N2O3/c1-13(24)23-9-6-14(18(25)26)11-19(23,12-22-7-2-3-8-22)15-4-5-16(20)17(21)10-15/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,25,26)