Molecule ID: 91703257

IUPAC Name: 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate

Description: The molecule is a member of the class of pyridines that is pyridine substituted by a (2-methylpropoxy)carbonyl and a (2-phenylethoxy)carbonyl group at positions 2 and 6 respectively. It has a role as a metabolite. It is a member of pyridines, a diester and a member of dicarboxylic acids and O-substituted derivatives.

SMILES: CC(C)COC(=O)c1cccc(C(=O)OCCc2ccccc2)n1

SELFIES: [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P]

InChI: InChI=1S/C19H21NO4/c1-14(2)13-24-19(22)17-10-6-9-16(20-17)18(21)23-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3

Molecular Properties:
- Polar Surface Area: 65.5 Ų
- LogP: 4.5