4-[[4-methanoyl-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-methanoyl-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-formyl-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[4-formyl-2-(3-methoxyphenyl)phenyl]methoxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[4-formyl-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[4-formyl-2-(3-methoxyphenyl)benzyl]oxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)C=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)C=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H23N3O3/c1-30-18-29-15-26(30)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(16-31)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,15-16,18,27H,17H2,1-2H3