2-[3-[[1,3-benzoxazol-2-yl(hex-5-enyl)amino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(hex-5-enyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(hex-5-enyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(hex-5-enyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(hex-5-enyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(hex-5-enyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CCCCC=C)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CCCCC=C)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C24H28N2O4/c1-4-5-6-9-15-26(23-25-20-13-7-8-14-21(20)29-23)17-18-11-10-12-19(16-18)30-24(2,3)22(27)28/h4,7-8,10-14,16H,1,5-6,9,15,17H2,2-3H3,(H,27,28)