A1FFR
Summary
| Name: | 3-chloranyl-~{N}-(3,4-dimethoxyphenyl)-4-[[(1~{R},2~{S})-2-methyl-3-oxidanylidene-cyclopentyl]amino]benzamide |
| Formula: | C21 H23 Cl N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 402.871 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-~{N}-(3,4-dimethoxyphenyl)-4-[[(1~{R},2~{S})-2-methyl-3-oxidanylidene-cyclopentyl]amino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23ClN2O4/c1-12-16(7-8-18(12)25)24-17-6-4-13(10-15(17)22)21(26)23-14-5-9-19(27-2)20(11-14)28-3/h4-6,9-12,16,24H,7-8H2,1-3H3,(H,23,26)/t12-,16+/m0/s1 |
| InChIKey | InChI | 1.06 | QGLHLBLDHAYKOJ-BLLLJJGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)c2ccc(N[C@@H]3CCC(=O)[C@H]3C)c(Cl)c2)cc1OC |
| SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)c2ccc(N[CH]3CCC(=O)[CH]3C)c(Cl)c2)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@@H](CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(c(c3)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(c(c3)OC)OC |
