[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpyrrolidine-2-carboxylate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpyrrolidine-2-carboxylate Openeye Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxo-ethyl] 1-pyrimidin-2-ylpyrrolidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-pyrrolidinecarboxylic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] 1-pyrimidin-2-ylpyrrolidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pyrrolidine-2-carboxylic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-keto-ethyl] ester Formula: C22H26Cl2N4O3 MolecularWeight: 465.37284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)COC(=O)C1CCCN1C2=NC=CC=N2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC(CNC(=O)COC(=O)C1CCCN1C2=NC=CC=N2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H26Cl2N4O3/c1-2-5-15(17-8-7-16(23)12-18(17)24)13-27-20(29)14-31-21(30)19-6-3-11-28(19)22-25-9-4-10-26-22/h4,7-10,12,15,19H,2-3,5-6,11,13-14H2,1H3,(H,27,29)