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

Systemtic Name: 2-[4-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[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=C(C=C1)CN(CC2CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

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