| PDB CCD ID: | B3O |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C22 H25 N O2 |
| InChI: | InChI=1S/C22H25NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(13-23-21(22)25)16-8-4-3-5-9-16/h3-5,8-9,11-15,17,19H,6-7,10H2,1-2H3,(H,23,25)/t14-,15+,17-,19+,22+/m0/s1 |
| InChIKey: | BELTVPCRHYWOEN-HPLJPIIASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH]1CCC[CH]2C=C[CH](C)[C]3([CH]12)C(=O)NC=C(C3=O)c4ccccc4 | | OpenEye OEToolkits 2.0.6 | CC1CCCC2C1C3(C(C=C2)C)C(=O)C(=CNC3=O)c4ccccc4 | | CACTVS 3.385 | C[C@H]1CCC[C@H]2C=C[C@@H](C)[C@]3([C@H]12)C(=O)NC=C(C3=O)c4ccccc4 | | OpenEye OEToolkits 2.0.6 | C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4 | | ACDLabs 12.01 | C2(C)C=CC1CCCC(C1C23C(=O)NC=C(C3=O)c4ccccc4)C |
|
| Name: | (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione |
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