3-(1H-imidazol-3-ium-5-yl)-2-[(4-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: 3-(1H-imidazol-3-ium-5-yl)-2-[(4-methoxyphenyl)carbonylamino]propanoate Openeye Name: 3-(1H-imidazol-3-ium-5-yl)-2-[(4-methoxybenzoyl)amino]propanoate CAS Name: 3-(1H-imidazol-3-ium-5-yl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]propanoate IUPAC Name: 3-(1H-imidazol-3-ium-5-yl)-2-[(4-methoxybenzoyl)amino]propanoate Traditional Name: 3-(1H-imidazol-3-ium-5-yl)-2-(p-anisoylamino)propionate Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CC2=C[NH+]=CN2)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(CC2=C[NH+]=CN2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-21-11-4-2-9(3-5-11)13(18)17-12(14(19)20)6-10-7-15-8-16-10/h2-5,7-8,12H,6H2,1H3,(H,15,16)(H,17,18)(H,19,20)