2-methyl-3-[4-[(2R)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]phenyl]propanoic acid

Systemtic Name: 2-methyl-3-[4-[(2R)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]phenyl]propanoic acid Openeye Name: 2-methyl-3-[4-[(1R)-1-methyl-2-oxo-2-(4-pyridylamino)ethyl]phenyl]propanoic acid CAS Name: 2-methyl-3-[4-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]phenyl]propanoic acid IUPAC Name: 2-methyl-3-[4-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[(1R)-2-keto-1-methyl-2-(4-pyridylamino)ethyl]phenyl]-2-methyl-propionic acid Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)C(=O)NC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)CC(C)C(=O)O)C(=O)NC2=CC=NC=C2

InChI

InChI=1S/C18H20N2O3/c1-12(18(22)23)11-14-3-5-15(6-4-14)13(2)17(21)20-16-7-9-19-10-8-16/h3-10,12-13H,11H2,1-2H3,(H,22,23)(H,19,20,21)/t12?,13-/m1/s1