4-[[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-allyl-4-ethoxy-5-methoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-allyl-4-ethoxy-5-methoxy-benzyl)ammonio]methyl]benzoate Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])CC=C

InChI

InChI=1S/C21H25NO4/c1-4-6-18-11-16(12-19(25-3)20(18)26-5-2)14-22-13-15-7-9-17(10-8-15)21(23)24/h4,7-12,22H,1,5-6,13-14H2,2-3H3,(H,23,24)