2-[[1-(5-hexoxypyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxymethyl]butanenitrile

Systemtic Name: 2-[[1-(5-hexoxypyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxymethyl]butanenitrile Openeye Name: 2-[[1-(5-hexoxypyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxymethyl]butanenitrile CAS Name: 2-[[1-(5-hexoxy-2-pyrimidinyl)-4-phenyl-1-cyclohexa-2,5-dienyl]oxymethyl]butanenitrile IUPAC Name: 2-[[1-(5-hexoxypyrimidin-2-yl)-4-phenylcyclohexa-2,5-dien-1-yl]oxymethyl]butanenitrile Traditional Name: 2-[[1-(5-hexoxypyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxymethyl]butyronitrile Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(CC)C#N

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(CC)C#N

InChI

InChI=1S/C27H33N3O2/c1-3-5-6-10-17-31-25-19-29-26(30-20-25)27(32-21-22(4-2)18-28)15-13-24(14-16-27)23-11-8-7-9-12-23/h7-9,11-16,19-20,22,24H,3-6,10,17,21H2,1-2H3