2-[3-[[1,3-benzoxazol-2-yl(but-2-ynyl)amino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(but-2-ynyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(but-2-ynyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(but-2-ynyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(but-2-ynyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(but-2-ynyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CC1=CC(=CC=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC#CCN(CC1=CC(=CC=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H22N2O4/c1-4-5-13-24(21-23-18-11-6-7-12-19(18)27-21)15-16-9-8-10-17(14-16)28-22(2,3)20(25)26/h6-12,14H,13,15H2,1-3H3,(H,25,26)