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

Systemtic Name: (2E)-2-[[3-chloranyl-4-(quinolin-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]iminopropanoic acid Openeye Name: (2E)-2-[[3-chloro-4-(2-quinolylmethoxy)phenyl]-cyclohexyl-methoxy]iminopropanoic acid CAS Name: (2E)-2-[[3-chloro-4-(2-quinolinylmethoxy)phenyl]-cyclohexylmethoxy]iminopropanoic acid IUPAC Name: (2E)-2-[[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]-cyclohexylmethoxy]iminopropanoic acid Traditional Name: (2E)-2-[[3-chloro-4-(2-quinolylmethoxy)phenyl]-cyclohexyl-methyl]oximinopropionic acid Formula: C26H27ClN2O4 MolecularWeight: 466.95658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O4/c1-17(26(30)31)29-33-25(19-8-3-2-4-9-19)20-12-14-24(22(27)15-20)32-16-21-13-11-18-7-5-6-10-23(18)28-21/h5-7,10-15,19,25H,2-4,8-9,16H2,1H3,(H,30,31)/b29-17+