TKN
Summary
| Name: | methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate |
| Formula: | C30 H36 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 472.618 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H36N2O3/c1-34-27-20-13-15-22(28(27)30(33)35-2)14-7-5-3-4-6-12-21-31-29-23-16-8-10-18-25(23)32-26-19-11-9-17-24(26)29/h6,8,10,12-13,15-16,18,20H,3-5,7,9,11,14,17,19,21H2,1-2H3,(H,31,32)/b12-6+ |
| InChIKey | InChI | 1.03 | KDIOKACZYNILDI-WUXMJOGZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(CCCCC/C=C/CNc2c3CCCCc3nc4ccccc24)cccc1OC |
| SMILES | CACTVS | 3.385 | COC(=O)c1c(CCCCCC=CCNc2c3CCCCc3nc4ccccc24)cccc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1C(=O)OC)CCCCC/C=C/CNc2c3ccccc3nc4c2CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1C(=O)OC)CCCCCC=CCNc2c3ccccc3nc4c2CCCC4 |
