3-[3-[1-(4-bromophenyl)carbonylpiperidin-4-yl]phenoxy]propanoic acid

Systemtic Name: 3-[3-[1-(4-bromophenyl)carbonylpiperidin-4-yl]phenoxy]propanoic acid Openeye Name: 3-[3-[1-(4-bromobenzoyl)-4-piperidyl]phenoxy]propanoic acid CAS Name: 3-[3-[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]phenoxy]propanoic acid IUPAC Name: 3-[3-[1-(4-bromobenzoyl)piperidin-4-yl]phenoxy]propanoic acid Traditional Name: 3-[3-[1-(4-bromobenzoyl)-4-piperidyl]phenoxy]propionic acid Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=CC=C2)OCCC(=O)O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C2=CC(=CC=C2)OCCC(=O)O)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO4/c22-18-6-4-16(5-7-18)21(26)23-11-8-15(9-12-23)17-2-1-3-19(14-17)27-13-10-20(24)25/h1-7,14-15H,8-13H2,(H,24,25)