Molecule ID: 91825723

IUPAC Name: (Z)-N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Description: The molecule is a 4-hydroxy-3-methoxycinnamoylagmatine in which the double bond of the 4-hydroxy-3-methoxycinnamoyl component has Z-geochemistry. It derives from a cis-ferulic acid.

SMILES: COc1cc(/C=C\C(O)=NCCCCNC(=N)N)ccc1O

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

InChI: InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5-

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 0.4