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

Systemtic Name: 3-[4-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile Openeye Name: 3-[3-isobutyl-4-[4-methoxy-3-(1-naphthylmethyl)phenyl]phenyl]propanenitrile CAS Name: 3-[4-[4-methoxy-3-(1-naphthalenylmethyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile IUPAC Name: 3-[4-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile Traditional Name: 3-[3-isobutyl-4-[4-methoxy-3-(1-naphthylmethyl)phenyl]phenyl]propionitrile Formula: C31H31NO MolecularWeight: 433.58394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO/c1-22(2)18-27-19-23(8-7-17-32)13-15-30(27)26-14-16-31(33-3)28(21-26)20-25-11-6-10-24-9-4-5-12-29(24)25/h4-6,9-16,19,21-22H,7-8,18,20H2,1-3H3