2-(1,3-benzodioxol-5-yloxymethyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]oxazole-4-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(homoveratrylamino)oxazole-4-carbonitrile Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC4=C(C=C3)OCO4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC4=C(C=C3)OCO4)C#N)OC

InChI

InChI=1S/C22H21N3O6/c1-26-17-5-3-14(9-19(17)27-2)7-8-24-22-16(11-23)25-21(31-22)12-28-15-4-6-18-20(10-15)30-13-29-18/h3-6,9-10,24H,7-8,12-13H2,1-2H3