Molecule ID: 45266519

IUPAC Name: 2-oxo-3-(5-phenylmethoxy-1H-indol-3-yl)propanoate

Description: The molecule is the anion of 3-(5-benzyloxyindol-3-yl)pyruvic acid. It derives from a pyruvate. It is a conjugate base of a 3-(5-benzyloxyindol-3-yl)pyruvic acid.

SMILES: O=C([O-])C(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12

SELFIES: [O][=C][Branch1][C][O-1][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Ring1][=C]

InChI: InChI=1S/C18H15NO4/c20-17(18(21)22)8-13-10-19-16-7-6-14(9-15(13)16)23-11-12-4-2-1-3-5-12/h1-7,9-10,19H,8,11H2,(H,21,22)/p-1

Molecular Properties:
- Polar Surface Area: 82.2 Ų
- LogP: 3.5