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

Systemtic Name: 2-methyl-2-[3-[1-(4-methylphenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]propanoic acid Openeye Name: 2-[3-[4-hydroxy-1-(4-methylbenzoyl)-4-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[4-hydroxy-1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-(4-hydroxy-1-p-toluoyl-4-piperidyl)phenoxy]-2-methyl-propionic acid Formula: C23H27NO5 MolecularWeight: 397.46418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)(C3=CC(=CC=C3)OC(C)(C)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)(C3=CC(=CC=C3)OC(C)(C)C(=O)O)O

InChI

InChI=1S/C23H27NO5/c1-16-7-9-17(10-8-16)20(25)24-13-11-23(28,12-14-24)18-5-4-6-19(15-18)29-22(2,3)21(26)27/h4-10,15,28H,11-14H2,1-3H3,(H,26,27)