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

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

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

Isomeric SMILES

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

InChI

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