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

Systemtic Name: 2-[4-chloranyl-2-[[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(4-benzoyl-3-methyl-piperazin-1-yl)methyl]-4-chloro-phenoxy]acetic acid CAS Name: 2-[2-[(4-benzoyl-3-methyl-1-piperazinyl)methyl]-4-chlorophenoxy]acetic acid IUPAC Name: 2-[2-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-chlorophenoxy]acetic acid Traditional Name: 2-[2-[(4-benzoyl-3-methyl-piperazino)methyl]-4-chloro-phenoxy]acetic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-15-12-23(9-10-24(15)21(27)16-5-3-2-4-6-16)13-17-11-18(22)7-8-19(17)28-14-20(25)26/h2-8,11,15H,9-10,12-14H2,1H3,(H,25,26)