2-methyl-2-[3-[1-(3-methylbutanoyl)piperidin-3-yl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[3-[1-(3-methylbutanoyl)piperidin-3-yl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[3-[1-(3-methylbutanoyl)-3-piperidyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[3-[1-(3-methyl-1-oxobutyl)-3-piperidinyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[3-[1-(3-methylbutanoyl)piperidin-3-yl]phenoxy]propanoic acid Traditional Name: 2-[3-(1-isovaleryl-3-piperidyl)phenoxy]-2-methyl-propionic acid Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC(C1)C2=CC(=CC=C2)OC(C)(C)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CCCC(C1)C2=CC(=CC=C2)OC(C)(C)C(=O)O

InChI

InChI=1S/C20H29NO4/c1-14(2)11-18(22)21-10-6-8-16(13-21)15-7-5-9-17(12-15)25-20(3,4)19(23)24/h5,7,9,12,14,16H,6,8,10-11,13H2,1-4H3,(H,23,24)