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

Systemtic Name: 3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[2-[4-(2-chlorophenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-[4-(2-chlorophenyl)-1-piperazinyl]-1-oxopropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[2-[4-(2-chlorophenyl)piperazino]-2-keto-1-methyl-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5/c1-10(19-15(22)13-14(26-13)17(24)25)16(23)21-8-6-20(7-9-21)12-5-3-2-4-11(12)18/h2-5,10,13-14H,6-9H2,1H3,(H,19,22)(H,24,25)