5-[4-[2-(2-methylphenoxy)ethanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-[2-(2-methylphenoxy)ethanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-[2-(2-methylphenoxy)-1-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-[2-(2-methylphenoxy)acetyl]piperazino]benzoic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C20H22N2O5/c1-14-4-2-3-5-18(14)27-13-19(24)22-10-8-21(9-11-22)15-6-7-17(23)16(12-15)20(25)26/h2-7,12,23H,8-11,13H2,1H3,(H,25,26)