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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O4/c23-19-7-8-20(29-16-22(27)28)18(14-19)15-24-10-12-25(13-11-24)21(26)9-6-17-4-2-1-3-5-17/h1-5,7-8,14H,6,9-13,15-16H2,(H,27,28)