2-methyl-2-[4-[2-oxidanylidene-2-[[2-phenyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[2-oxidanylidene-2-[[2-phenyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[2-oxo-2-[[2-phenyl-1-[2-(1-piperidyl)phenyl]ethyl]amino]ethyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[2-oxo-2-[[2-phenyl-1-[2-(1-piperidinyl)phenyl]ethyl]amino]ethyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[2-oxo-2-[[2-phenyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]phenoxy]propanoic acid Traditional Name: 2-[4-[2-keto-2-[[2-phenyl-1-(2-piperidinophenyl)ethyl]amino]ethyl]phenoxy]-2-methyl-propionic acid Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)CC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C31H36N2O4/c1-31(2,30(35)36)37-25-17-15-24(16-18-25)22-29(34)32-27(21-23-11-5-3-6-12-23)26-13-7-8-14-28(26)33-19-9-4-10-20-33/h3,5-8,11-18,27H,4,9-10,19-22H2,1-2H3,(H,32,34)(H,35,36)