5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-ethoxyphenyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-ethoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-p-phenetyl-oxazole-4-carbonitrile Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=C4C(=CC=C3)OCO4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=C4C(=CC=C3)OCO4)C#N

InChI

InChI=1S/C20H17N3O4/c1-2-24-15-8-6-13(7-9-15)19-23-16(10-21)20(27-19)22-11-14-4-3-5-17-18(14)26-12-25-17/h3-9,22H,2,11-12H2,1H3