2-[(3,4-diethoxyphenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(3,4-diethoxyphenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(3,4-diethoxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(3,4-diethoxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)OCC

InChI

InChI=1S/C17H21N3O5/c1-3-24-14-6-5-11(7-15(14)25-4-2)16(21)20-13(17(22)23)8-12-9-18-10-19-12/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)