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

Systemtic Name: 3-[4-[4-methoxy-3-(phenylmethyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile Openeye Name: 3-[4-(3-benzyl-4-methoxy-phenyl)-3-isobutyl-phenyl]propanenitrile CAS Name: 3-[4-[4-methoxy-3-(phenylmethyl)phenyl]-3-(2-methylpropyl)phenyl]propanenitrile IUPAC Name: 3-[4-(3-benzyl-4-methoxyphenyl)-3-(2-methylpropyl)phenyl]propanenitrile Traditional Name: 3-[4-(3-benzyl-4-methoxy-phenyl)-3-isobutyl-phenyl]propionitrile Formula: C27H29NO MolecularWeight: 383.52526

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO/c1-20(2)16-24-17-22(10-7-15-28)11-13-26(24)23-12-14-27(29-3)25(19-23)18-21-8-5-4-6-9-21/h4-6,8-9,11-14,17,19-20H,7,10,16,18H2,1-3H3