4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid Openeye Name: 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid CAS Name: 4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid Traditional Name: 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid Formula: C18H23Cl2N3O3 MolecularWeight: 400.29952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CN(CCN2C(=O)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1CCN(C1)CC2CN(CCN2C(=O)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H23Cl2N3O3/c19-15-4-3-13(9-16(15)20)10-17(24)23-8-7-22(18(25)26)12-14(23)11-21-5-1-2-6-21/h3-4,9,14H,1-2,5-8,10-12H2,(H,25,26)