Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cc(CN2C=C(c1c(C)noc1C)C=CC2=O)ccc3C(C)O |
InChI | InChI | 1.03 | InChI=1S/C19H20N2O3/c1-12-19(14(3)24-20-12)17-8-9-18(23)21(11-17)10-15-4-6-16(7-5-15)13(2)22/h4-9,11,13,22H,10H2,1-3H3/t13-/m1/s1 |
InChIKey | InChI | 1.03 | GYFSAKAXGZYFTD-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)c1ccc(CN2C=C(C=CC2=O)c3c(C)onc3C)cc1 |
SMILES | CACTVS | 3.385 | C[CH](O)c1ccc(CN2C=C(C=CC2=O)c3c(C)onc3C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)C(C)O |