4-[[4-(2-chloranylethanoyl)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(2-chloranylethanoyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(2-chloroacetyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-(2-chloro-1-oxoethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-(2-chloroacetyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(2-chloroacetyl)piperazino]methyl]benzoic acid Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)C(=O)CCl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)C(=O)CCl

InChI

InChI=1S/C14H17ClN2O3/c15-9-13(18)17-7-5-16(6-8-17)10-11-1-3-12(4-2-11)14(19)20/h1-4H,5-10H2,(H,19,20)