Molecule ID: 71768125

IUPAC Name: 2-[anilino(phenyl)carbamoyl]hexanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of bumadizone, obtained by deprotonation of the carboxy group. It is a conjugate base of a bumadizone.

SMILES: CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c1ccccc1

SELFIES: [C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)/p-1

Molecular Properties:
- Polar Surface Area: 72.5 Ų
- LogP: 5.5