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

Systemtic Name: (2E)-2-[cyclohexyl-[2-cyclohexylsulfanyl-4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Openeye Name: (2E)-2-[cyclohexyl-[2-cyclohexylsulfanyl-4-(2-quinolylmethoxy)phenyl]methoxy]iminopropanoic acid CAS Name: (2E)-2-[cyclohexyl-[2-(cyclohexylthio)-4-(2-quinolinylmethoxy)phenyl]methoxy]iminopropanoic acid IUPAC Name: (2E)-2-[cyclohexyl-[2-cyclohexylsulfanyl-4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Traditional Name: (2E)-2-[cyclohexyl-[2-(cyclohexylthio)-4-(2-quinolylmethoxy)phenyl]methyl]oximinopropionic acid Formula: C32H38N2O4S MolecularWeight: 546.72012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1CCCCC1)C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SC5CCCCC5)C(=O)O

Isomeric SMILES

C/C(=N\OC(C1CCCCC1)C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SC5CCCCC5)/C(=O)O

InChI

InChI=1S/C32H38N2O4S/c1-22(32(35)36)34-38-31(24-11-4-2-5-12-24)28-19-18-26(20-30(28)39-27-13-6-3-7-14-27)37-21-25-17-16-23-10-8-9-15-29(23)33-25/h8-10,15-20,24,27,31H,2-7,11-14,21H2,1H3,(H,35,36)/b34-22+