3-(3,4-diacetyloxyphenyl)-2-(pyridin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 3-(3,4-diacetyloxyphenyl)-2-(pyridin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-(3,4-diacetoxyphenyl)-2-(pyridine-3-carbonylamino)propanoic acid CAS Name: 3-(3,4-diacetyloxyphenyl)-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-(3,4-diacetyloxyphenyl)-2-(pyridine-3-carbonylamino)propanoic acid Traditional Name: 3-(3,4-diacetoxyphenyl)-2-nicotinamido-propionic acid Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2)OC(=O)C

InChI

InChI=1S/C19H18N2O7/c1-11(22)27-16-6-5-13(9-17(16)28-12(2)23)8-15(19(25)26)21-18(24)14-4-3-7-20-10-14/h3-7,9-10,15H,8H2,1-2H3,(H,21,24)(H,25,26)