3-[3-(2-methylpropyl)-4-(4-oxidanyl-3-propan-2-yl-phenyl)phenyl]propanenitrile

Systemtic Name: 3-[3-(2-methylpropyl)-4-(4-oxidanyl-3-propan-2-yl-phenyl)phenyl]propanenitrile Openeye Name: 3-[4-(4-hydroxy-3-isopropyl-phenyl)-3-isobutyl-phenyl]propanenitrile CAS Name: 3-[4-(4-hydroxy-3-propan-2-ylphenyl)-3-(2-methylpropyl)phenyl]propanenitrile IUPAC Name: 3-[4-(4-hydroxy-3-propan-2-ylphenyl)-3-(2-methylpropyl)phenyl]propanenitrile Traditional Name: 3-[4-(4-hydroxy-3-isopropyl-phenyl)-3-isobutyl-phenyl]propionitrile Formula: C22H27NO MolecularWeight: 321.45588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)CCC#N)C2=CC(=C(C=C2)O)C(C)C

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)CCC#N)C2=CC(=C(C=C2)O)C(C)C

InChI

InChI=1S/C22H27NO/c1-15(2)12-19-13-17(6-5-11-23)7-9-20(19)18-8-10-22(24)21(14-18)16(3)4/h7-10,13-16,24H,5-6,12H2,1-4H3