N3Z
Summary
Name: | ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide |
Formula: | C23 H25 N O5 |
Formal charge: | 0 |
Formula weight: | 395.448 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-10,18H,1,6-7,11H2,2-5H3,(H,24,25)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | DQVCQNGCZCOGHU-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CC[C@H](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1OC |
SMILES | CACTVS | 3.385 | COc1cc2CC[CH](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC |