2-[4-chloranyl-2-[[3-methyl-4-(2-phenylethanoyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[[3-methyl-4-(2-phenylethanoyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[[3-methyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[[3-methyl-4-(1-oxo-2-phenylethyl)-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[[3-methyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-[[3-methyl-4-(2-phenylacetyl)piperazino]methyl]phenoxy]acetic acid Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)OCC(=O)O

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)OCC(=O)O

InChI

InChI=1S/C22H25ClN2O4/c1-16-13-24(9-10-25(16)21(26)11-17-5-3-2-4-6-17)14-18-12-19(23)7-8-20(18)29-15-22(27)28/h2-8,12,16H,9-11,13-15H2,1H3,(H,27,28)