(2S)-3-[4-[2-[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: (2S)-3-[4-[2-[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: (2S)-3-[4-[2-[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: (2S)-3-[4-[2-[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: (2S)-3-[4-[2-[(4-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: (2S)-3-[4-[2-[(4-chlorobenzyl)-(4-fluorobenzyl)amino]-2-keto-ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C27H27ClFNO5 MolecularWeight: 499.958383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C27H27ClFNO5/c1-2-34-25(27(32)33)15-19-7-13-24(14-8-19)35-18-26(31)30(16-20-3-9-22(28)10-4-20)17-21-5-11-23(29)12-6-21/h3-14,25H,2,15-18H2,1H3,(H,32,33)/t25-/m0/s1