2-[4-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]propanoic acid

Systemtic Name: 2-[4-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]propanoic acid Openeye Name: 2-[4-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]phenoxy]propanoic acid CAS Name: 2-[4-[1-[(4-bromophenyl)-oxomethyl]-4-hydroxy-4-piperidinyl]phenoxy]propanoic acid IUPAC Name: 2-[4-[1-(4-bromobenzoyl)-4-hydroxypiperidin-4-yl]phenoxy]propanoic acid Traditional Name: 2-[4-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]phenoxy]propionic acid Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)C2(CCN(CC2)C(=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)C2(CCN(CC2)C(=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H22BrNO5/c1-14(20(25)26)28-18-8-4-16(5-9-18)21(27)10-12-23(13-11-21)19(24)15-2-6-17(22)7-3-15/h2-9,14,27H,10-13H2,1H3,(H,25,26)