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

Systemtic Name: 4-[1,3-benzoxazol-2-yl(ethyl)amino]-2-methyl-2-phenoxy-butanoic acid Openeye Name: 4-[1,3-benzoxazol-2-yl(ethyl)amino]-2-methyl-2-phenoxy-butanoic acid CAS Name: 4-[1,3-benzoxazol-2-yl(ethyl)amino]-2-methyl-2-phenoxybutanoic acid IUPAC Name: 4-[1,3-benzoxazol-2-yl(ethyl)amino]-2-methyl-2-phenoxybutanoic acid Traditional Name: 4-[1,3-benzoxazol-2-yl(ethyl)amino]-2-methyl-2-phenoxy-butyric acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(C)(C(=O)O)OC1=CC=CC=C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCN(CCC(C)(C(=O)O)OC1=CC=CC=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H22N2O4/c1-3-22(19-21-16-11-7-8-12-17(16)25-19)14-13-20(2,18(23)24)26-15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,23,24)