butyl 2-aminocarbonyl-3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-3-methyl-oxirane-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(C(O1)(C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)N

Isomeric SMILES

CCCCOC(=O)C1(C(O1)(C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)N

InChI

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