3,5-dimethyl-4-oxidanyl-benzenecarbonitrile; 3,5-dimethyl-4-(3-pyridin-4-ylpropoxy)benzenecarbonitrile

Systemtic Name: 3,5-dimethyl-4-oxidanyl-benzenecarbonitrile; 3,5-dimethyl-4-(3-pyridin-4-ylpropoxy)benzenecarbonitrile Openeye Name: 3,5-dimethyl-4-[3-(4-pyridyl)propoxy]benzonitrile; 4-hydroxy-3,5-dimethyl-benzonitrile CAS Name: 3,5-dimethyl-4-(3-pyridin-4-ylpropoxy)benzonitrile; 4-hydroxy-3,5-dimethylbenzonitrile IUPAC Name: 3,5-dimethyl-4-(3-pyridin-4-ylpropoxy)benzonitrile; 4-hydroxy-3,5-dimethylbenzonitrile Traditional Name: 3,5-dimethyl-4-[3-(4-pyridyl)propoxy]benzonitrile; 4-hydroxy-3,5-dimethyl-benzonitrile Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C#N.CC1=CC(=CC(=C1OCCCC2=CC=NC=C2)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C#N.CC1=CC(=CC(=C1OCCCC2=CC=NC=C2)C)C#N

InChI

InChI=1S/C17H18N2O.C9H9NO/c1-13-10-16(12-18)11-14(2)17(13)20-9-3-4-15-5-7-19-8-6-15;1-6-3-8(5-10)4-7(2)9(6)11/h5-8,10-11H,3-4,9H2,1-2H3;3-4,11H,1-2H3