2-[4-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[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=C(C=C1)CN(CC2CCCCC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

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