(2E)-2-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzofuran-2-yl]methoxy]iminoethanoic acid

Systemtic Name: (2E)-2-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzofuran-2-yl]methoxy]iminoethanoic acid Openeye Name: (2E)-2-[cyclohexyl-[5-(2-quinolylmethoxy)benzofuran-2-yl]methoxy]iminoacetic acid CAS Name: (2E)-2-[cyclohexyl-[5-(2-quinolinylmethoxy)-2-benzofuranyl]methoxy]iminoacetic acid IUPAC Name: (2E)-2-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzofuran-2-yl]methoxy]iminoacetic acid Traditional Name: (2E)-2-[cyclohexyl-[5-(2-quinolylmethoxy)benzofuran-2-yl]methyl]oximinoacetic acid Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC3=C(O2)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)ON=CC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC3=C(O2)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)O/N=C/C(=O)O

InChI

InChI=1S/C27H26N2O5/c30-26(31)16-28-34-27(19-7-2-1-3-8-19)25-15-20-14-22(12-13-24(20)33-25)32-17-21-11-10-18-6-4-5-9-23(18)29-21/h4-6,9-16,19,27H,1-3,7-8,17H2,(H,30,31)/b28-16+