Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2C(c1ccccc1)N(C(CC(C(=O)O)N)=O)CC2 |
InChI | InChI | 1.03 | InChI=1S/C14H18N2O3/c15-11(14(18)19)9-13(17)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12+/m0/s1 |
InChIKey | InChI | 1.03 | NLDYOOGTZZVPGN-NWDGAFQWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(=O)N1CCC[C@@H]1c2ccccc2)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](CC(=O)N1CCC[CH]1c2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCCN2C(=O)CC(C(=O)O)N |