(2E)-2-[2-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethoxy]iminopropanoic acid

Systemtic Name: (2E)-2-[2-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethoxy]iminopropanoic acid Openeye Name: (2E)-2-[2-cyclohexyl-2-[4-(2-quinolylmethoxy)phenyl]ethoxy]iminopropanoic acid CAS Name: (2E)-2-[2-cyclohexyl-2-[4-(2-quinolinylmethoxy)phenyl]ethoxy]iminopropanoic acid IUPAC Name: (2E)-2-[2-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethoxy]iminopropanoic acid Traditional Name: (2E)-2-[2-cyclohexyl-2-[4-(2-quinolylmethoxy)phenyl]ethyl]oximinopropionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C/C(=N\OCC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C(=O)O

InChI

InChI=1S/C27H30N2O4/c1-19(27(30)31)29-33-18-25(20-7-3-2-4-8-20)21-12-15-24(16-13-21)32-17-23-14-11-22-9-5-6-10-26(22)28-23/h5-6,9-16,20,25H,2-4,7-8,17-18H2,1H3,(H,30,31)/b29-19+