H1H
Summary
| Name: | 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid |
| Formula: | C24 H32 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 444.521 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H32N2O6/c1-15(2)9-8-12-32-22-14-19(18(23(27)28)13-21(22)31-5)26-24(29)25-16(3)17-10-6-7-11-20(17)30-4/h6-7,10-11,13-16H,8-9,12H2,1-5H3,(H,27,28)(H2,25,26,29)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | UFAFCKVYKJIJTR-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@H](C)NC(=O)Nc2cc(OCCCC(C)C)c(OC)cc2C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1[CH](C)NC(=O)Nc2cc(OCCCC(C)C)c(OC)cc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1ccccc1OC)NC(=O)Nc2cc(c(cc2C(=O)O)OC)OCCCC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CCCOc1cc(c(cc1OC)C(=O)O)NC(=O)NC(C)c2ccccc2OC |
