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

Systemtic Name: 2-[4-[[1,3-benzoxazol-2-yl(4-methylpentyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[1,3-benzoxazol-2-yl(isohexyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[1,3-benzoxazol-2-yl(4-methylpentyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[1,3-benzoxazol-2-yl(4-methylpentyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[1,3-benzoxazol-2-yl(isohexyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C24H30N2O4/c1-17(2)8-7-15-26(23-25-20-9-5-6-10-21(20)29-23)16-18-11-13-19(14-12-18)30-24(3,4)22(27)28/h5-6,9-14,17H,7-8,15-16H2,1-4H3,(H,27,28)