2-methyl-2-[3-[(3S)-1-(4-propan-2-ylphenoxy)carbonylpiperidin-3-yl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[3-[(3S)-1-(4-propan-2-ylphenoxy)carbonylpiperidin-3-yl]phenoxy]propanoic acid Openeye Name: 2-[3-[(3S)-1-(4-isopropylphenoxy)carbonyl-3-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-methyl-2-[3-[(3S)-1-[oxo-(4-propan-2-ylphenoxy)methyl]-3-piperidinyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[3-[(3S)-1-(4-propan-2-ylphenoxy)carbonylpiperidin-3-yl]phenoxy]propanoic acid Traditional Name: 2-[3-[(3S)-1-(4-isopropylphenoxy)carbonyl-3-piperidyl]phenoxy]-2-methyl-propionic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC(=O)N2CCCC(C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC(=O)N2CCC[C@H](C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C25H31NO5/c1-17(2)18-10-12-21(13-11-18)30-24(29)26-14-6-8-20(16-26)19-7-5-9-22(15-19)31-25(3,4)23(27)28/h5,7,9-13,15,17,20H,6,8,14,16H2,1-4H3,(H,27,28)/t20-/m1/s1