5-acetamido-2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 5-acetamido-2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-[2-(4-chlorophenoxy)ethyl]piperazino]benzoic acid Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H24ClN3O4/c1-15(26)23-17-4-7-20(19(14-17)21(27)28)25-10-8-24(9-11-25)12-13-29-18-5-2-16(22)3-6-18/h2-7,14H,8-13H2,1H3,(H,23,26)(H,27,28)