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

Systemtic Name: 3-[3-(2-methylpropyl)-4-[4-oxidanyl-3-(phenylmethyl)phenyl]phenyl]propanenitrile Openeye Name: 3-[4-(3-benzyl-4-hydroxy-phenyl)-3-isobutyl-phenyl]propanenitrile CAS Name: 3-[4-[4-hydroxy-3-(phenylmethyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile IUPAC Name: 3-[4-(3-benzyl-4-hydroxyphenyl)-3-(2-methylpropyl)phenyl]propanenitrile Traditional Name: 3-[4-(3-benzyl-4-hydroxy-phenyl)-3-isobutyl-phenyl]propionitrile Formula: C26H27NO MolecularWeight: 369.49868

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)CCC#N)C2=CC(=C(C=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C26H27NO/c1-19(2)15-23-16-21(9-6-14-27)10-12-25(23)22-11-13-26(28)24(18-22)17-20-7-4-3-5-8-20/h3-5,7-8,10-13,16,18-19,28H,6,9,15,17H2,1-2H3