3-[3-(2-methylpropyl)-4-[3-(naphthalen-1-ylmethyl)-4-oxidanyl-phenyl]phenyl]propanenitrile

Systemtic Name: 3-[3-(2-methylpropyl)-4-[3-(naphthalen-1-ylmethyl)-4-oxidanyl-phenyl]phenyl]propanenitrile Openeye Name: 3-[4-[4-hydroxy-3-(1-naphthylmethyl)phenyl]-3-isobutyl-phenyl]propanenitrile CAS Name: 3-[4-[4-hydroxy-3-(1-naphthalenylmethyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile IUPAC Name: 3-[4-[4-hydroxy-3-(naphthalen-1-ylmethyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile Traditional Name: 3-[4-[4-hydroxy-3-(1-naphthylmethyl)phenyl]-3-isobutyl-phenyl]propionitrile Formula: C30H29NO MolecularWeight: 419.55736

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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=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)CCC#N)C2=CC(=C(C=C2)O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H29NO/c1-21(2)17-26-18-22(7-6-16-31)12-14-29(26)25-13-15-30(32)27(20-25)19-24-10-5-9-23-8-3-4-11-28(23)24/h3-5,8-15,18,20-21,32H,6-7,17,19H2,1-2H3