(2E)-2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]iminopropanoic acid

Systemtic Name: (2E)-2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]iminopropanoic acid Openeye Name: (2E)-2-[2-butyl-1-[4-(2-quinolylmethoxy)phenyl]hexoxy]iminopropanoic acid CAS Name: (2E)-2-[2-butyl-1-[4-(2-quinolinylmethoxy)phenyl]hexoxy]iminopropanoic acid IUPAC Name: (2E)-2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]iminopropanoic acid Traditional Name: (2E)-2-[2-butyl-1-[4-(2-quinolylmethoxy)phenyl]hexyl]oximinopropionic acid Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)ON=C(C)C(=O)O

Isomeric SMILES

CCCCC(CCCC)C(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)O/N=C(\C)/C(=O)O

InChI

InChI=1S/C29H36N2O4/c1-4-6-10-23(11-7-5-2)28(35-31-21(3)29(32)33)24-15-18-26(19-16-24)34-20-25-17-14-22-12-8-9-13-27(22)30-25/h8-9,12-19,23,28H,4-7,10-11,20H2,1-3H3,(H,32,33)/b31-21+