2-acetamido-3-[3-methyl-4-(1,4,5,6-tetramethyl-2-oxidanylidene-pyridin-3-yl)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3-methyl-4-(1,4,5,6-tetramethyl-2-oxidanylidene-pyridin-3-yl)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[3-methyl-4-(1,4,5,6-tetramethyl-2-oxo-3-pyridyl)phenyl]propanoic acid CAS Name: 2-acetamido-3-[3-methyl-4-(1,4,5,6-tetramethyl-2-oxo-3-pyridinyl)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[3-methyl-4-(1,4,5,6-tetramethyl-2-oxopyridin-3-yl)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-(2-keto-1,4,5,6-tetramethyl-3-pyridyl)-3-methyl-phenyl]propionic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)C2=C(C(=C(N(C2=O)C)C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)C2=C(C(=C(N(C2=O)C)C)C)C

InChI

InChI=1S/C21H26N2O4/c1-11-9-16(10-18(21(26)27)22-15(5)24)7-8-17(11)19-13(3)12(2)14(4)23(6)20(19)25/h7-9,18H,10H2,1-6H3,(H,22,24)(H,26,27)