5-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylcarbamoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylcarbamoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylcarbamoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[[3-[4-(4-chlorophenyl)-1-piperazinyl]propylamino]-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylcarbamoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[3-[4-(4-chlorophenyl)piperazino]propylcarbamoylamino]-2-hydroxy-benzoic acid Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCCNC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O4/c22-15-2-5-17(6-3-15)26-12-10-25(11-13-26)9-1-8-23-21(30)24-16-4-7-19(27)18(14-16)20(28)29/h2-7,14,27H,1,8-13H2,(H,28,29)(H2,23,24,30)