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

Systemtic Name: 2-[[1-[(6-bromanylpyridin-3-yl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[1-[(6-bromo-3-pyridyl)methoxy]naphthalene-2-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[1-[(6-bromo-3-pyridinyl)methoxy]-2-naphthalenyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[1-[(6-bromopyridin-3-yl)methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[1-[(6-bromo-3-pyridyl)methoxy]-2-naphthoyl]amino]-2-methyl-propionic acid Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4/c1-21(2,20(26)27)24-19(25)16-9-8-14-5-3-4-6-15(14)18(16)28-12-13-7-10-17(22)23-11-13/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)