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

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-benzyloxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]oxazole-4-carbonitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-phenylmethoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-benzoxyphenyl)-5-(homoveratrylamino)oxazole-4-carbonitrile Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C27H25N3O4/c1-31-24-13-8-19(16-25(24)32-2)14-15-29-27-23(17-28)30-26(34-27)21-9-11-22(12-10-21)33-18-20-6-4-3-5-7-20/h3-13,16,29H,14-15,18H2,1-2H3