4-[[(3-ethoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-ethoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-allyloxy-3-ethoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-ethoxy-4-prop-2-enoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-ethoxy-4-prop-2-enoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-allyloxy-3-ethoxy-benzyl)ammonio]methyl]benzoate Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC=C

InChI

InChI=1S/C20H23NO4/c1-3-11-25-18-10-7-16(12-19(18)24-4-2)14-21-13-15-5-8-17(9-6-15)20(22)23/h3,5-10,12,21H,1,4,11,13-14H2,2H3,(H,22,23)