1RC
Summary
| Name: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide |
| Synonyms: | (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide |
| Formula: | C18 H17 Cl N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 360.792 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide |
| OpenEye OEToolkits | 1.6.1 | (1R)-2-(5-chloro-2,4-dihydroxy-phenyl)carbonyl-N-ethyl-1,3-dihydroisoindole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1cc(c(O)cc1O)C(=O)N3C(c2ccccc2C3)C(=O)NCC |
| SMILES_CANONICAL | CACTVS | 3.352 | CCNC(=O)[C@@H]1N(Cc2ccccc12)C(=O)c3cc(Cl)c(O)cc3O |
| SMILES | CACTVS | 3.352 | CCNC(=O)[CH]1N(Cc2ccccc12)C(=O)c3cc(Cl)c(O)cc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCNC(=O)C1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H17ClN2O4/c1-2-20-17(24)16-11-6-4-3-5-10(11)9-21(16)18(25)12-7-13(19)15(23)8-14(12)22/h3-8,16,22-23H,2,9H2,1H3,(H,20,24)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | QITRQXXSCAOQLZ-MRXNPFEDSA-N |
