3-[3-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]propanoic acid

Systemtic Name: 3-[3-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]propanoic acid Openeye Name: 3-[3-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]phenoxy]propanoic acid CAS Name: 3-[3-[1-[(4-bromophenyl)-oxomethyl]-4-hydroxy-4-piperidinyl]phenoxy]propanoic acid IUPAC Name: 3-[3-[1-(4-bromobenzoyl)-4-hydroxypiperidin-4-yl]phenoxy]propanoic acid Traditional Name: 3-[3-[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:

C1CN(CCC1(C2=CC(=CC=C2)OCCC(=O)O)O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)OCCC(=O)O)O)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO5/c22-17-6-4-15(5-7-17)20(26)23-11-9-21(27,10-12-23)16-2-1-3-18(14-16)28-13-8-19(24)25/h1-7,14,27H,8-13H2,(H,24,25)