3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxidanylidene-pentan-3-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxidanylidene-pentan-3-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[3-[4-(2-chlorophenyl)piperazin-1-yl]-1-ethyl-3-oxo-propyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-[4-(2-chlorophenyl)-1-piperazinyl]-1-oxopentan-3-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopentan-3-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[3-[4-(2-chlorophenyl)piperazino]-1-ethyl-3-keto-propyl]carbamoyl]oxirane-2-carboxylic acid Formula: C19H24ClN3O5 MolecularWeight: 409.86396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)N1CCN(CC1)C2=CC=CC=C2Cl)NC(=O)C3C(O3)C(=O)O

Isomeric SMILES

CCC(CC(=O)N1CCN(CC1)C2=CC=CC=C2Cl)NC(=O)C3C(O3)C(=O)O

InChI

InChI=1S/C19H24ClN3O5/c1-2-12(21-18(25)16-17(28-16)19(26)27)11-15(24)23-9-7-22(8-10-23)14-6-4-3-5-13(14)20/h3-6,12,16-17H,2,7-11H2,1H3,(H,21,25)(H,26,27)