2-[4-[1-(4-bromophenyl)carbonylpiperidin-4-yl]phenoxy]propanoic acid

Systemtic Name: 2-[4-[1-(4-bromophenyl)carbonylpiperidin-4-yl]phenoxy]propanoic acid Openeye Name: 2-[4-[1-(4-bromobenzoyl)-4-piperidyl]phenoxy]propanoic acid CAS Name: 2-[4-[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]phenoxy]propanoic acid IUPAC Name: 2-[4-[1-(4-bromobenzoyl)piperidin-4-yl]phenoxy]propanoic acid Traditional Name: 2-[4-[1-(4-bromobenzoyl)-4-piperidyl]phenoxy]propionic acid Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO4/c1-14(21(25)26)27-19-8-4-15(5-9-19)16-10-12-23(13-11-16)20(24)17-2-6-18(22)7-3-17/h2-9,14,16H,10-13H2,1H3,(H,25,26)