(3E)-3-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminobutanoic acid

Systemtic Name: (3E)-3-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminobutanoic acid Openeye Name: (3E)-3-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methoxy]iminobutanoic acid CAS Name: (3E)-3-[cyclohexyl-[4-(2-quinolinylmethoxy)phenyl]methoxy]iminobutanoic acid IUPAC Name: (3E)-3-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminobutanoic acid Traditional Name: (3E)-3-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methyl]oximinobutyric acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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