5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-ethoxyphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-ethoxyphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-ethoxyphenoxy)methyl]-5-(piperonylamino)oxazole-4-carbonitrile Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H19N3O5/c1-2-25-15-4-6-16(7-5-15)26-12-20-24-17(10-22)21(29-20)23-11-14-3-8-18-19(9-14)28-13-27-18/h3-9,23H,2,11-13H2,1H3