PDB CCD ID: | U1I |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H17 N O2 |
InChI: | InChI=1S/C13H17NO2/c1-10-3-5-11(6-4-10)13(12(15)16-2)7-8-14-9-13/h3-6,14H,7-9H2,1-2H3/t13-/m0/s1 |
InChIKey: | DZYXVONDWNODKG-ZDUSSCGKSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)C2(CCNC2)C(=O)OC | CACTVS 3.385 | COC(=O)[C]1(CCNC1)c2ccc(C)cc2 | CACTVS 3.385 | COC(=O)[C@]1(CCNC1)c2ccc(C)cc2 | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)[C@@]2(CCNC2)C(=O)OC | ACDLabs 12.01 | COC(=O)C1(CCNC1)c1ccc(C)cc1 |
|
Name: | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate |