N-methyl-1,3-benzoxazol-2-amine; phenyl 2,2-diethoxypropanoate

Systemtic Name: N-methyl-1,3-benzoxazol-2-amine; phenyl 2,2-diethoxypropanoate Openeye Name: N-methyl-1,3-benzoxazol-2-amine; phenyl 2,2-diethoxypropanoate CAS Name: 2,2-diethoxypropanoic acid phenyl ester; N-methyl-1,3-benzoxazol-2-amine IUPAC Name: N-methyl-1,3-benzoxazol-2-amine; phenyl 2,2-diethoxypropanoate Traditional Name: 1,3-benzoxazol-2-yl(methyl)amine; 2,2-diethoxypropionic acid phenyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C(=O)OC1=CC=CC=C1)OCC.CNC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCOC(C)(C(=O)OC1=CC=CC=C1)OCC.CNC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H18O4.C8H8N2O/c1-4-15-13(3,16-5-2)12(14)17-11-9-7-6-8-10-11;1-9-8-10-6-4-2-3-5-7(6)11-8/h6-10H,4-5H2,1-3H3;2-5H,1H3,(H,9,10)