| PDB CCD ID: | XOM |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C18 H21 Cl N2 O4 |
| InChI: | InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)/t13-,18+ |
| InChIKey: | AKBHYCHPWZPGAH-QGGXVJLZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ccc(CO[CH]2CN(C2)C(=O)[CH]3C[C]4(COC(=O)N4)C3)cc1Cl | | ACDLabs 12.01 | c4(COC3CN(C(=O)C2CC1(COC(=O)N1)C2)C3)ccc(c(c4)Cl)C | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4 | | CACTVS 3.385 | Cc1ccc(CO[C@H]2CN(C2)C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)cc1Cl |
|
| Name: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one |
| ChEMBL: | CHEMBL4873898 |
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