ethyl 4-[5-(3,4-dichlorophenyl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(3,4-dichlorophenyl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(3,4-dichlorophenyl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-(3,4-dichlorophenyl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(3,4-dichlorophenyl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-carbethoxy-5-(3,4-dichlorophenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23Cl2N3O4 MolecularWeight: 440.32032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CC(=C(C=C2)Cl)Cl)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CC(=C(C=C2)Cl)Cl)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H23Cl2N3O4/c1-3-28-19(26)14-12-17(13-5-6-15(21)16(22)11-13)23-18(14)24-7-9-25(10-8-24)20(27)29-4-2/h5-6,11-12,23H,3-4,7-10H2,1-2H3