sodium (2E)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoate

Systemtic Name: sodium (2E)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoate Openeye Name: sodium (2E)-2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methoxy]iminopropanoate CAS Name: sodium (2E)-2-[cyclohexyl-[4-(2-quinolinylmethoxy)phenyl]methoxy]iminopropanoate IUPAC Name: sodium (2E)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoate Traditional Name: sodium (2E)-2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methyl]oximinopropionate Formula: C26H27N2NaO4 MolecularWeight: 454.49335

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C/C(=N\OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C(=O)[O-].[Na+]

InChI

InChI=1S/C26H28N2O4.Na/c1-18(26(29)30)28-32-25(20-8-3-2-4-9-20)21-12-15-23(16-13-21)31-17-22-14-11-19-7-5-6-10-24(19)27-22;/h5-7,10-16,20,25H,2-4,8-9,17H2,1H3,(H,29,30);/q;+1/p-1/b28-18+;