3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propylcarbamoylamino]benzoic acid

Systemtic Name: 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propylcarbamoylamino]benzoic acid Openeye Name: 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propylcarbamoylamino]benzoic acid CAS Name: 3-[[[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propylcarbamoylamino]benzoic acid Traditional Name: 3-[3-[4-(4-chlorobenzyl)piperazino]propylcarbamoylamino]benzoic acid Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)NC2=CC=CC(=C2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCCNC(=O)NC2=CC=CC(=C2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN4O3/c23-19-7-5-17(6-8-19)16-27-13-11-26(12-14-27)10-2-9-24-22(30)25-20-4-1-3-18(15-20)21(28)29/h1,3-8,15H,2,9-14,16H2,(H,28,29)(H2,24,25,30)