Molecule ID: 10087245

IUPAC Name: (3Z)-2-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylidene]butanedinitrile

Description: The molecule is a dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and 4-methoxybenzylidene groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is a monomethoxybenzene and a dinitrile.

SMILES: COc1ccc(/C=C(\C#N)C(C#N)Cc2ccc(OC)cc2)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][Branch1][Ring1][\C][#N][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C20H18N2O2/c1-23-19-7-3-15(4-8-19)11-17(13-21)18(14-22)12-16-5-9-20(24-2)10-6-16/h3-11,18H,12H2,1-2H3/b17-11+

Molecular Properties:
- Polar Surface Area: 66.0 Ų
- LogP: 3.7