3-[[4-(2-carboxyethylamino)-2,5-bis(methoxycarbonyl)phenyl]amino]propanoic acid

Systemtic Name: 3-[[4-(2-carboxyethylamino)-2,5-bis(methoxycarbonyl)phenyl]amino]propanoic acid Openeye Name: 3-[4-(2-carboxyethylamino)-2,5-bis(methoxycarbonyl)anilino]propanoic acid CAS Name: 3-[4-(2-carboxyethylamino)-2,5-bis(methoxycarbonyl)anilino]propanoic acid IUPAC Name: 3-[4-(2-carboxyethylamino)-2,5-bis(methoxycarbonyl)anilino]propanoic acid Traditional Name: 3-[2,5-dicarbomethoxy-4-(2-carboxyethylamino)anilino]propionic acid Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1NCCC(=O)O)C(=O)OC)NCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1NCCC(=O)O)C(=O)OC)NCCC(=O)O

InChI

InChI=1S/C16H20N2O8/c1-25-15(23)9-7-12(18-6-4-14(21)22)10(16(24)26-2)8-11(9)17-5-3-13(19)20/h7-8,17-18H,3-6H2,1-2H3,(H,19,20)(H,21,22)