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

Systemtic Name: 3-ethoxy-2-phenyl-2-propoxy-propanoic acid; N-methyl-1,3-benzoxazol-2-amine Openeye Name: 3-ethoxy-2-phenyl-2-propoxy-propanoic acid; N-methyl-1,3-benzoxazol-2-amine CAS Name: 3-ethoxy-2-phenyl-2-propoxypropanoic acid; N-methyl-1,3-benzoxazol-2-amine IUPAC Name: 3-ethoxy-2-phenyl-2-propoxypropanoic acid; N-methyl-1,3-benzoxazol-2-amine Traditional Name: 1,3-benzoxazol-2-yl(methyl)amine; 3-ethoxy-2-phenyl-2-propoxy-propionic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(COCC)(C1=CC=CC=C1)C(=O)O.CNC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCOC(COCC)(C1=CC=CC=C1)C(=O)O.CNC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C14H20O4.C8H8N2O/c1-3-10-18-14(13(15)16,11-17-4-2)12-8-6-5-7-9-12;1-9-8-10-6-4-2-3-5-7(6)11-8/h5-9H,3-4,10-11H2,1-2H3,(H,15,16);2-5H,1H3,(H,9,10)