3-[3-(cyanomethyl)-4-decoxy-phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[3-(cyanomethyl)-4-decoxy-phenyl]carbonylbenzenecarbonitrile Openeye Name: 3-[3-(cyanomethyl)-4-decoxy-benzoyl]benzonitrile CAS Name: 3-[[3-(cyanomethyl)-4-decoxyphenyl]-oxomethyl]benzonitrile IUPAC Name: 3-[3-(cyanomethyl)-4-decoxybenzoyl]benzonitrile Traditional Name: 3-[3-(cyanomethyl)-4-decoxy-benzoyl]benzonitrile Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC(=C2)C#N)CC#N

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC(=C2)C#N)CC#N

InChI

InChI=1S/C26H30N2O2/c1-2-3-4-5-6-7-8-9-17-30-25-14-13-24(19-22(25)15-16-27)26(29)23-12-10-11-21(18-23)20-28/h10-14,18-19H,2-9,15,17H2,1H3