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

Systemtic Name: 3-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]-2-phenoxy-propanoic acid Openeye Name: 3-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]-2-phenoxy-propanoic acid CAS Name: 3-[1-[(4-bromophenyl)-oxomethyl]-4-hydroxy-4-piperidinyl]-2-phenoxypropanoic acid IUPAC Name: 3-[1-(4-bromobenzoyl)-4-hydroxypiperidin-4-yl]-2-phenoxypropanoic acid Traditional Name: 3-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]-2-phenoxy-propionic acid Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(C(=O)O)OC2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1(CC(C(=O)O)OC2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Br

InChI

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