WEW
Summary
| Name: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide |
| Formula: | C29 H31 Cl N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 523.02 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H31ClN2O5/c1-35-26-15-19(5-6-21(26)17-32-11-9-22(18-32)29(34)31-10-12-33)23-3-2-4-24(28(23)30)20-7-8-25-27(16-20)37-14-13-36-25/h2-8,15-16,22,33H,9-14,17-18H2,1H3,(H,31,34)/t22-/m1/s1 |
| InChIKey | InChI | 1.06 | PVCAFYFKPDWOQM-JOCHJYFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1CN2CC[C@H](C2)C(=O)NCCO)c3cccc(c3Cl)c4ccc5OCCOc5c4 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1CN2CC[CH](C2)C(=O)NCCO)c3cccc(c3Cl)c4ccc5OCCOc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1CN2CC[C@H](C2)C(=O)NCCO)c3cccc(c3Cl)c4ccc5c(c4)OCCO5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1CN2CCC(C2)C(=O)NCCO)c3cccc(c3Cl)c4ccc5c(c4)OCCO5 |
