A1LXO
Summary
| Name: | 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid |
| Formula: | C27 H38 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 438.602 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H38N2O3/c1-21-8-12-25(13-9-21)32-19-5-17-29(18-16-22-6-3-2-4-7-22)24-11-14-26(28)23(20-24)10-15-27(30)31/h8-9,11-14,20,22H,2-7,10,15-19,28H2,1H3,(H,30,31) |
| InChIKey | InChI | 1.06 | HZQMXFAGAHDOBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(OCCCN(CCC2CCCCC2)c3ccc(N)c(CCC(O)=O)c3)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(OCCCN(CCC2CCCCC2)c3ccc(N)c(CCC(O)=O)c3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)OCCCN(CCC2CCCCC2)c3ccc(c(c3)CCC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)OCCCN(CCC2CCCCC2)c3ccc(c(c3)CCC(=O)O)N |
