(E)-3-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]-2-phenyl-prop-2-enoate

Systemtic Name: (E)-3-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]-2-phenyl-prop-2-enoate Openeye Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]-2-phenyl-prop-2-enoate CAS Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-ethoxyphenyl]-2-phenyl-2-propenoate IUPAC Name: (E)-3-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxyphenyl]-2-phenylprop-2-enoate Traditional Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]-2-phenyl-acrylate Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C2=CC=CC=C2)C(=O)[O-])OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C2=CC=CC=C2)/C(=O)[O-])OCCC[NH+](C)C

InChI

InChI=1S/C22H27NO4/c1-4-26-21-16-17(11-12-20(21)27-14-8-13-23(2)3)15-19(22(24)25)18-9-6-5-7-10-18/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H,24,25)/b19-15+