LQE
Summary
| Name: | (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline |
| Formula: | C23 H29 N O2 |
| Formal charge: | 0 |
| Formula weight: | 351.482 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R},4~{a}~{S},10~{a}~{S})-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4~{a},5,10,10~{a}-hexahydro-2~{H}-benzo[g]quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H29NO2/c1-24-15-17(10-16-6-4-8-20(12-16)25-2)11-19-13-21-18(14-22(19)24)7-5-9-23(21)26-3/h4-9,12,17,19,22H,10-11,13-15H2,1-3H3/t17-,19-,22-/m0/s1 |
| InChIKey | InChI | 1.03 | QZUPQRHYHMMHGC-JLMWRMLUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(C[C@H]2C[C@H]3Cc4c(C[C@@H]3N(C)C2)cccc4OC)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(C[CH]2C[CH]3Cc4c(C[CH]3N(C)C2)cccc4OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CC(CC2C1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC |
