Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1(CCN(C=CC1)C(C)=O)C(=O)c2cc3c(cc2)OCO3 |
InChI | InChI | 1.03 | InChI=1S/C15H16N2O4/c1-11(18)16-5-2-6-17(8-7-16)15(19)12-3-4-13-14(9-12)21-10-20-13/h2-5,9H,6-8,10H2,1H3 |
InChIKey | InChI | 1.03 | BVVWUNAJSHTQLD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC=C1)C(=O)c2ccc3OCOc3c2 |
SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC=C1)C(=O)c2ccc3OCOc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3 |