2-methyl-2-[[1-[(6-methylsulfinylpyridin-3-yl)methoxy]naphthalen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-methyl-2-[[1-[(6-methylsulfinylpyridin-3-yl)methoxy]naphthalen-2-yl]carbonylamino]propanoic acid Openeye Name: 2-methyl-2-[[1-[(6-methylsulfinyl-3-pyridyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid CAS Name: 2-methyl-2-[[[1-[(6-methylsulfinyl-3-pyridinyl)methoxy]-2-naphthalenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-methyl-2-[[1-[(6-methylsulfinylpyridin-3-yl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid Traditional Name: 2-methyl-2-[[1-[(6-methylsulfinyl-3-pyridyl)methoxy]-2-naphthoyl]amino]propionic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=CN=C(C=C3)S(=O)C

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=CN=C(C=C3)S(=O)C

InChI

InChI=1S/C22H22N2O5S/c1-22(2,21(26)27)24-20(25)17-10-9-15-6-4-5-7-16(15)19(17)29-13-14-8-11-18(23-12-14)30(3)28/h4-12H,13H2,1-3H3,(H,24,25)(H,26,27)