2-[4-[3-oxidanylidene-2-(phenylmethyl)-4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-oxidanylidene-2-(phenylmethyl)-4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-benzyl-3-oxo-4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]acetic acid CAS Name: 2-[4-[3-oxo-2-(phenylmethyl)-4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-benzyl-3-oxo-4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]acetic acid Traditional Name: 2-[4-[2-benzyl-3-keto-4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]acetic acid Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CCN(C(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)OCC(=O)O

Isomeric SMILES

C1CNCCC1CCN2CCN(C(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)OCC(=O)O

InChI

InChI=1S/C26H33N3O4/c30-25(31)19-33-23-8-6-22(7-9-23)29-17-16-28(15-12-20-10-13-27-14-11-20)26(32)24(29)18-21-4-2-1-3-5-21/h1-9,20,24,27H,10-19H2,(H,30,31)