NW2
2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
Find entries where: NW2
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid |
| Identifiers | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid |
| Formula | C27 H29 N O5 |
| Molecular Weight | 447.523 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)CCOc4c(cccc4OC)C(=O)O |
| InChI | InChI=1S/C27H29NO5/c1-16(2)19-11-17(9-10-32-26-21(27(29)30)5-4-6-25(26)31-3)12-20(13-19)18-7-8-24-22(14-18)23(28)15-33-24/h4-8,11-14,16,23H,9-10,15,28H2,1-3H3,(H,29,30)/t23-/m1/s1 |
| InChIKey | KXSZMPGKDDBJRE-HSZRJFAPSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 62 |
| Chiral Atom Count | 1 |
| Bond Count | 65 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 146673502 |
