A1IX3
Summary
| Name: | 3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid |
| Formula: | C22 H27 N O4 |
| Formal charge: | 0 |
| Formula weight: | 369.454 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H27NO4/c24-21(23-19-5-3-1-2-4-6-19)15-27-20-11-10-17-9-7-16(8-12-22(25)26)13-18(17)14-20/h7,9-11,13-14,19H,1-6,8,12,15H2,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.06 | NOUZBDWDCVUKDP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1ccc2ccc(OCC(=O)NC3CCCCCC3)cc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1ccc2ccc(OCC(=O)NC3CCCCCC3)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCCC3)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCCC3)CCC(=O)O |
