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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-2-24(27(30)31)29-33-26(20-9-4-3-5-10-20)21-13-16-23(17-14-21)32-18-22-15-12-19-8-6-7-11-25(19)28-22/h6-8,11-17,20,26H,2-5,9-10,18H2,1H3,(H,30,31)/b29-24+