sodium 2-[[(E)-5-[4-(furan-3-yl)phenyl]-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoate

Systemtic Name: sodium 2-[[(E)-5-[4-(furan-3-yl)phenyl]-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoate Openeye Name: sodium 2-[[(E)-5-[4-(3-furyl)phenyl]-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetate CAS Name: sodium 2-[[(E)-5-[4-(3-furanyl)phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetate IUPAC Name: sodium 2-[[(E)-5-[4-(furan-3-yl)phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetate Traditional Name: sodium 2-[[(E)-5-[4-(3-furyl)phenyl]-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetate Formula: C24H20NNaO3 MolecularWeight: 393.41027

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C(C#CC1=CC=C(C=C1)C2=COC=C2)C3=CC=CC=C3)CC(=O)[O-].[Na+]

Isomeric SMILES

CN(C/C=C(/C#CC1=CC=C(C=C1)C2=COC=C2)\C3=CC=CC=C3)CC(=O)[O-].[Na+]

InChI

InChI=1S/C24H21NO3.Na/c1-25(17-24(26)27)15-13-22(20-5-3-2-4-6-20)12-9-19-7-10-21(11-8-19)23-14-16-28-18-23;/h2-8,10-11,13-14,16,18H,15,17H2,1H3,(H,26,27);/q;+1/p-1/b22-13-;