Molecule ID: 5941539

IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide

Description: The molecule is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine. It has a role as a vascular endothelial growth factor receptor antagonist. It is an enamide, a member of phenols, a nitrile, a monocarboxylic acid amide and a secondary carboxamide.

SMILES: CC(C)c1cc(/C=C(\C#N)C(O)=NCCCc2ccccc2)cc(C(C)C)c1O

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

InChI: InChI=1S/C25H30N2O2/c1-17(2)22-14-20(15-23(18(3)4)24(22)28)13-21(16-26)25(29)27-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,28H,8,11-12H2,1-4H3,(H,27,29)/b21-13+

Molecular Properties:
- Polar Surface Area: 73.1 Ų
- LogP: 5.8