DRY
Summary
| Name: | [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID |
| Synonyms: | {1-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPYL]-1H-INDOL-5-YLOXY}-ACETIC ACID |
| Formula: | C33 H31 N O5 |
| Formal charge: | 0 |
| Formula weight: | 521.603 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[1-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propyl)-1H-indol-5-yl]oxy}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[1-[3-[6-(phenylcarbonyl)-1-propyl-naphthalen-2-yl]oxypropyl]indol-5-yl]oxyethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccccc1)c5cc4ccc(OCCCn3c2ccc(OCC(=O)O)cc2cc3)c(c4cc5)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCc1c(OCCCn2ccc3cc(OCC(O)=O)ccc23)ccc4cc(ccc14)C(=O)c5ccccc5 |
| SMILES | CACTVS | 3.341 | CCCc1c(OCCCn2ccc3cc(OCC(O)=O)ccc23)ccc4cc(ccc14)C(=O)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)38-19-6-17-34-18-16-25-21-27(12-14-30(25)34)39-22-32(35)36/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36) |
| InChIKey | InChI | 1.03 | CIJITCGUOBZSCP-UHFFFAOYSA-N |
