Molecule ID: 9847895

IUPAC Name: (Z)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid

Description: The molecule is a member of the class of cyclopentanones that is (4Z)-7-(3-oxocyclopentyl)hept-4-enoic acid in which the cyclopentenone ring is substituted at positions 2 and 5 by morpholin-4-yl and (1,1'-biphenyl-4-yl)methoxy groups respectively. It is a member of morpholines, a member of cyclopentanones, a member of biphenyls, an ether, an oxo monocarboxylic acid and an olefinic compound.

SMILES: O=C(O)CC/C=C\CCC1C(OCc2ccc(-c3ccccc3)cc2)CC(=O)C1N1CCOCC1

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

InChI: InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-

Molecular Properties:
- Polar Surface Area: 76.1 Ų
- LogP: 1.6