2-[4-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)carbonylamino]propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)carbonylamino]propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[2-[[5-chloro-2-(1-piperidyl)benzoyl]amino]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[2-[[[5-chloro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[(5-chloro-2-piperidino-benzoyl)amino]propyl]phenoxy]-2-methyl-propionic acid Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)NC(=O)C2=C(C=CC(=C2)Cl)N3CCCCC3

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)NC(=O)C2=C(C=CC(=C2)Cl)N3CCCCC3

InChI

InChI=1S/C25H31ClN2O4/c1-17(15-18-7-10-20(11-8-18)32-25(2,3)24(30)31)27-23(29)21-16-19(26)9-12-22(21)28-13-5-4-6-14-28/h7-12,16-17H,4-6,13-15H2,1-3H3,(H,27,29)(H,30,31)