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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(C2CCCCC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(C2CCCCC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H28N2O4/c1-24(2,22(27)28)30-19-12-8-9-17(15-19)16-26(18-10-4-3-5-11-18)23-25-20-13-6-7-14-21(20)29-23/h6-9,12-15,18H,3-5,10-11,16H2,1-2H3,(H,27,28)