methyl 4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-2-ylmethyl)piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-2-ylmethyl)piperazine-1-carboxylate Openeye Name: methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-2-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-3-(2-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-2-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-2-ylmethyl)piperazine-1-carboxylic acid methyl ester Formula: C19H25Cl2N3O3 MolecularWeight: 414.3261

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CC2CCCN2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)N1CCN(C(C1)CC2CCCN2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-7-8-24(15(12-23)11-14-3-2-6-22-14)18(25)10-13-4-5-16(20)17(21)9-13/h4-5,9,14-15,22H,2-3,6-8,10-12H2,1H3