Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N(C(=O)C5C1C4c2c(cccc2)C5(c3ccccc34)CO)CCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCN1C(=O)[C@H]2C3c4ccccc4C(CO)([C@H]2C1=O)c5ccccc35 |
SMILES | CACTVS | 3.341 | CCCCCN1C(=O)[CH]2C3c4ccccc4C(CO)([CH]2C1=O)c5ccccc35 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCN1C(=O)[C@H]2C3c4ccccc4C([C@H]2C1=O)(c5c3cccc5)CO |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCN1C(=O)C2C3c4ccccc4C(C2C1=O)(c5c3cccc5)CO |
InChI | InChI | 1.03 | InChI=1S/C24H25NO3/c1-2-3-8-13-25-22(27)20-19-15-9-4-6-11-17(15)24(14-26,21(20)23(25)28)18-12-7-5-10-16(18)19/h4-7,9-12,19-21,26H,2-3,8,13-14H2,1H3/t19-,20-,21+,24+/m0/s1 |
InChIKey | InChI | 1.03 | ZXWOIFZYPFUNNQ-VMIIQTFKSA-N |