2-[4-[4-[[(phenylmethyl)amino]-piperidin-4-yl-methyl]piperidin-1-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-[[(phenylmethyl)amino]-piperidin-4-yl-methyl]piperidin-1-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[4-[(benzylamino)-(4-piperidyl)methyl]-1-piperidyl]phenoxy]acetic acid CAS Name: 2-[4-[4-[[(phenylmethyl)amino]-(4-piperidinyl)methyl]-1-piperidinyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-[(benzylamino)-piperidin-4-ylmethyl]piperidin-1-yl]phenoxy]acetic acid Traditional Name: 2-[4-[4-[(benzylamino)-(4-piperidyl)methyl]piperidino]phenoxy]acetic acid Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C2CCN(CC2)C3=CC=C(C=C3)OCC(=O)O)NCC4=CC=CC=C4

Isomeric SMILES

C1CNCCC1C(C2CCN(CC2)C3=CC=C(C=C3)OCC(=O)O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O3/c30-25(31)19-32-24-8-6-23(7-9-24)29-16-12-22(13-17-29)26(21-10-14-27-15-11-21)28-18-20-4-2-1-3-5-20/h1-9,21-22,26-28H,10-19H2,(H,30,31)