Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@]1(CCN2CC[C@H](N2C1=O)C(O)=O)Cc3ccccc3 |
SMILES | CACTVS | 3.370 | N[C]1(CCN2CC[CH](N2C1=O)C(O)=O)Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C15H19N3O3/c16-15(10-11-4-2-1-3-5-11)7-9-17-8-6-12(13(19)20)18(17)14(15)21/h1-5,12H,6-10,16H2,(H,19,20)/t12-,15+/m0/s1 |
InChIKey | InChI | 1.03 | VSGVOMMUKACZDZ-SWLSCSKDSA-N |