2-[3-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[1-[(4-bromophenyl)-oxomethyl]-4-hydroxy-4-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[1-(4-bromobenzoyl)-4-hydroxypiperidin-4-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]phenoxy]-2-methyl-propionic acid Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO5/c1-21(2,20(26)27)29-18-5-3-4-16(14-18)22(28)10-12-24(13-11-22)19(25)15-6-8-17(23)9-7-15/h3-9,14,28H,10-13H2,1-2H3,(H,26,27)