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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(3-cyclohexylpropyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(3-cyclohexylpropyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(3-cyclohexylpropyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(3-cyclohexylpropyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(3-cyclohexylpropyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CCCC2CCCCC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CCCC2CCCCC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C27H34N2O4/c1-27(2,25(30)31)33-22-14-8-12-21(18-22)19-29(17-9-13-20-10-4-3-5-11-20)26-28-23-15-6-7-16-24(23)32-26/h6-8,12,14-16,18,20H,3-5,9-11,13,17,19H2,1-2H3,(H,30,31)