2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-ethanoyl-benzoic acid

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-ethanoyl-benzoic acid Openeye Name: 5-acetyl-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzoic acid CAS Name: 5-acetyl-2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzoic acid IUPAC Name: 5-acetyl-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoic acid Traditional Name: 5-acetyl-2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]benzoic acid Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H23ClN2O5/c1-15(26)17-4-7-20(19(12-17)22(28)29)30-14-21(27)25-10-8-24(9-11-25)13-16-2-5-18(23)6-3-16/h2-7,12H,8-11,13-14H2,1H3,(H,28,29)