| Molecular Formula | C23H20FNO5 |
| Canonicalized Compound | 1 |
| Compound Complexity | 629 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Rotatable Bond Count | 6 |
| Allowed IUPAC Name | 1-(4-fluorobenzoyl)-3-[(6-methoxy-2-naphthyl)oxymethyl]azetidine-3-carboxylic acid |
| CAS-like Style IUPAC Name | 1-[(4-fluorophenyl)-oxomethyl]-3-[(6-methoxy-2-naphthalenyl)oxymethyl]-3-azetidinecarboxylic acid |
| Markup IUPAC Name | 1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid |
| Preferred IUPAC Name | 1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid |
| Systematic IUPAC Name | 1-(4-fluorophenyl)carbonyl-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid |
| Traditional IUPAC Name | 1-(4-fluorobenzoyl)-3-[(6-methoxy-2-naphthoxy)methyl]azetidine-3-carboxylic acid |
| Standard InChI | InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28) |
| Standard InChIKey | LWJGMYMNSNVCEM-UHFFFAOYSA-N |
| XLogP3-AA Log P | 3.5 |
| Exact Mass | 409.13255090 |
| Molecular Weight | 409.4 |
| Canonical SMILES | COC1=CC2=C(C=C1)C=C(C=C2)OCC3(CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)O |
| Isomeric SMILES | COC1=CC2=C(C=C1)C=C(C=C2)OCC3(CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)O |
| Polar Surface Area Topological | 76.1 |
| MonoIsotopic Weight | 409.13255090 |
| Chemical Structure |  |
| Class | Specialty Materials |
