2-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-methyl-2-oxidanyl-propoxy]-4-fluoranyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-methyl-2-oxidanyl-propoxy]-4-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]amino]-2-hydroxy-2-methyl-propoxy]-4-fluoro-phenyl]acetic acid CAS Name: 2-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]amino]-2-hydroxy-2-methylpropoxy]-4-fluorophenyl]acetic acid IUPAC Name: 2-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]-4-fluorophenyl]acetic acid Traditional Name: 2-[2-[(2S)-3-[[1-(4-chlorobenzyl)-4-piperidyl]amino]-2-hydroxy-2-methyl-propoxy]-4-fluoro-phenyl]acetic acid Formula: C24H30ClFN2O4 MolecularWeight: 464.957403

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1CCN(CC1)CC2=CC=C(C=C2)Cl)(COC3=C(C=CC(=C3)F)CC(=O)O)O

Isomeric SMILES

C[C@](CNC1CCN(CC1)CC2=CC=C(C=C2)Cl)(COC3=C(C=CC(=C3)F)CC(=O)O)O

InChI

InChI=1S/C24H30ClFN2O4/c1-24(31,16-32-22-13-20(26)7-4-18(22)12-23(29)30)15-27-21-8-10-28(11-9-21)14-17-2-5-19(25)6-3-17/h2-7,13,21,27,31H,8-12,14-16H2,1H3,(H,29,30)/t24-/m0/s1