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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CC2CCCCC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CC2CCCCC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H30N2O4/c1-25(2,23(28)29)31-20-12-8-11-19(15-20)17-27(16-18-9-4-3-5-10-18)24-26-21-13-6-7-14-22(21)30-24/h6-8,11-15,18H,3-5,9-10,16-17H2,1-2H3,(H,28,29)