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

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenoxymethyl)oxazole-4-carbonitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenoxymethyl)-4-oxazolecarbonitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(homoveratrylamino)-2-(phenoxymethyl)oxazole-4-carbonitrile Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-25-18-9-8-15(12-19(18)26-2)10-11-23-21-17(13-22)24-20(28-21)14-27-16-6-4-3-5-7-16/h3-9,12,23H,10-11,14H2,1-2H3