2-tert-butyl-4-[2-[1-[3-[[1-(4-chloranyl-3-fluoranyl-phenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]ethyl]phenyl]benzoic acid

Systemtic Name: 2-tert-butyl-4-[2-[1-[3-[[1-(4-chloranyl-3-fluoranyl-phenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]ethyl]phenyl]benzoic acid Openeye Name: 2-tert-butyl-4-[2-[1-[3-[[2-(4-chloro-3-fluoro-phenyl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]ethyl]phenyl]benzoic acid CAS Name: 2-tert-butyl-4-[2-[1-[3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]benzoic acid IUPAC Name: 2-tert-butyl-4-[2-[1-[3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]benzoic acid Traditional Name: 2-tert-butyl-4-[2-[1-[3-[[2-(4-chloro-3-fluoro-phenyl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]ethyl]phenyl]benzoic acid Formula: C32H39ClFNO4 MolecularWeight: 556.107763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C2=CC(=C(C=C2)C(=O)O)C(C)(C)C)OCC(CNC(C)(C)CC3=CC(=C(C=C3)Cl)F)O

Isomeric SMILES

CC(C1=CC=CC=C1C2=CC(=C(C=C2)C(=O)O)C(C)(C)C)OCC(CNC(C)(C)CC3=CC(=C(C=C3)Cl)F)O

InChI

InChI=1S/C32H39ClFNO4/c1-20(39-19-23(36)18-35-32(5,6)17-21-11-14-28(33)29(34)15-21)24-9-7-8-10-25(24)22-12-13-26(30(37)38)27(16-22)31(2,3)4/h7-16,20,23,35-36H,17-19H2,1-6H3,(H,37,38)