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

Systemtic Name: N-methyl-1,3-benzoxazol-2-amine; phenyl 2,2-diethoxybutanoate Openeye Name: N-methyl-1,3-benzoxazol-2-amine; phenyl 2,2-diethoxybutanoate CAS Name: 2,2-diethoxybutanoic acid phenyl ester; N-methyl-1,3-benzoxazol-2-amine IUPAC Name: N-methyl-1,3-benzoxazol-2-amine; phenyl 2,2-diethoxybutanoate Traditional Name: 1,3-benzoxazol-2-yl(methyl)amine; 2,2-diethoxybutyric acid phenyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4.C8H8N2O/c1-4-14(16-5-2,17-6-3)13(15)18-12-10-8-7-9-11-12;1-9-8-10-6-4-2-3-5-7(6)11-8/h7-11H,4-6H2,1-3H3;2-5H,1H3,(H,9,10)