Molecule ID: 11628491

IUPAC Name: methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-[(4-fluorophenyl)methyl]amino]acetate

Description: The molecule is an amino acid ester that is methyl glycine in which one of hydrogens attached to the nitrogen is remplaced by a 4-fluorobenzyl group while the other is replaced by a 3,4-dimethoxycinnamyl group. It is a tertiary amino compound, an alpha-amino acid ester, a glycine derivative, a member of monofluorobenzenes and a methyl ester.

SMILES: COC(=O)CN(C/C=C/c1ccc(OC)c(OC)c1)Cc1ccc(F)cc1

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

InChI: InChI=1S/C21H24FNO4/c1-25-19-11-8-16(13-20(19)26-2)5-4-12-23(15-21(24)27-3)14-17-6-9-18(22)10-7-17/h4-11,13H,12,14-15H2,1-3H3/b5-4+

Molecular Properties:
- Polar Surface Area: 48.0 Ų
- LogP: 3.9