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

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

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=C(C=C3)C4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=C(C=C3)C4=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)18-33-22-11-9-21(10-12-22)20-6-4-3-5-7-20/h3-13,16,29H,14-15,18H2,1-2H3