6QS
Summary
| Name: | [(2~{R})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxylate |
| Formula: | C30 H32 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 484.586 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | [(2~{R})-oxolan-2-yl]methyl (4~{R})-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H32N2O4/c1-3-32-24-11-5-4-9-21(24)22-16-19(13-14-25(22)32)28-27(30(34)36-17-20-8-7-15-35-20)18(2)31-23-10-6-12-26(33)29(23)28/h4-5,9,11,13-14,16,20,28,31H,3,6-8,10,12,15,17H2,1-2H3/t20-,28+/m1/s1 |
| InChIKey | InChI | 1.03 | SHBFRAVLHSPWTB-NGOKVRLYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c2ccccc2c3cc(ccc13)[C@H]4C(=C(C)NC5=C4C(=O)CCC5)C(=O)OC[C@H]6CCCO6 |
| SMILES | CACTVS | 3.385 | CCn1c2ccccc2c3cc(ccc13)[CH]4C(=C(C)NC5=C4C(=O)CCC5)C(=O)OC[CH]6CCCO6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCn1c2ccccc2c3c1ccc(c3)[C@@H]4C5=C(CCCC5=O)NC(=C4C(=O)OC[C@H]6CCCO6)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCn1c2ccccc2c3c1ccc(c3)C4C5=C(CCCC5=O)NC(=C4C(=O)OCC6CCCO6)C |
