Molecule ID: 6441102

IUPAC Name: methyl (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate

Description: The molecule is an enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid. It has a role as a fungal metabolite, a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agent. It is an enoate ester, an enol ether, a monomethoxybenzene, a member of monochlorobenzenes and a methoxyacrylate strobilurin antifungal agent.

SMILES: CO/C=C(C(=O)OC)\C(C)=C/C=C/c1ccc(Cl)c(OC)c1

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

InChI: InChI=1S/C17H19ClO4/c1-12(14(11-20-2)17(19)22-4)6-5-7-13-8-9-15(18)16(10-13)21-3/h5-11H,1-4H3/b7-5+,12-6-,14-11+

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 4.5