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

Systemtic Name: methyl 4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylate Openeye Name: methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylate CAS Name: 4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-3-(2-pyrrolidinylmethoxymethyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylic acid methyl ester Formula: C20H27Cl2N3O4 MolecularWeight: 444.35208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)COCC2CCCN2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)N1CCN(C(C1)COCC2CCCN2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H27Cl2N3O4/c1-28-20(27)24-7-8-25(16(11-24)13-29-12-15-3-2-6-23-15)19(26)10-14-4-5-17(21)18(22)9-14/h4-5,9,15-16,23H,2-3,6-8,10-13H2,1H3