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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CC2CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CC2CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O4/c1-22(2,20(25)26)28-17-7-5-6-16(12-17)14-24(13-15-10-11-15)21-23-18-8-3-4-9-19(18)27-21/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,25,26)