2,3-diethoxy-2-phenyl-propanoic acid; N-methyl-1,3-benzoxazol-2-amine

Systemtic Name: 2,3-diethoxy-2-phenyl-propanoic acid; N-methyl-1,3-benzoxazol-2-amine Openeye Name: 2,3-diethoxy-2-phenyl-propanoic acid; N-methyl-1,3-benzoxazol-2-amine CAS Name: 2,3-diethoxy-2-phenylpropanoic acid; N-methyl-1,3-benzoxazol-2-amine IUPAC Name: 2,3-diethoxy-2-phenylpropanoic acid; N-methyl-1,3-benzoxazol-2-amine Traditional Name: 1,3-benzoxazol-2-yl(methyl)amine; 2,3-diethoxy-2-phenyl-propionic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C1=CC=CC=C1)(C(=O)O)OCC.CNC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCOCC(C1=CC=CC=C1)(C(=O)O)OCC.CNC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H18O4.C8H8N2O/c1-3-16-10-13(12(14)15,17-4-2)11-8-6-5-7-9-11;1-9-8-10-6-4-2-3-5-7(6)11-8/h5-9H,3-4,10H2,1-2H3,(H,14,15);2-5H,1H3,(H,9,10)