(2-aminocarbonyl-3-butyl-3-methyl-oxiran-2-yl)carbonyl 4-(4-chlorophenyl)piperazine-1-carboxylate

Systemtic Name: (2-aminocarbonyl-3-butyl-3-methyl-oxiran-2-yl)carbonyl 4-(4-chlorophenyl)piperazine-1-carboxylate Openeye Name: (3-butyl-2-carbamoyl-3-methyl-oxirane-2-carbonyl) 4-(4-chlorophenyl)piperazine-1-carboxylate CAS Name: 4-(4-chlorophenyl)-1-piperazinecarboxylic acid [(3-butyl-2-carbamoyl-3-methyl-2-oxiranyl)-oxomethyl] ester IUPAC Name: (3-butyl-2-carbamoyl-3-methyloxirane-2-carbonyl) 4-(4-chlorophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-chlorophenyl)piperazine-1-carboxylic acid (3-butyl-2-carbamoyl-3-methyl-oxirane-2-carbonyl) ester Formula: C20H26ClN3O5 MolecularWeight: 423.89054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(O1)(C(=O)N)C(=O)OC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCC1(C(O1)(C(=O)N)C(=O)OC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H26ClN3O5/c1-3-4-9-19(2)20(29-19,16(22)25)17(26)28-18(27)24-12-10-23(11-13-24)15-7-5-14(21)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H2,22,25)