2PQ
Summary
| Name: | 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid |
| Formula: | C38 H41 N O5 |
| Formal charge: | 0 |
| Formula weight: | 591.736 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-methyl-2-[[1-[3-[4-(4-phenylphenyl)carbonyl-2-propyl-phenoxy]propyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(Oc1cccc2c1CCCN2CCCOc5ccc(C(=O)c4ccc(c3ccccc3)cc4)cc5CCC)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCc1cc(ccc1OCCCN2CCCc3c(OC(C)(C)C(O)=O)cccc23)C(=O)c4ccc(cc4)c5ccccc5 |
| SMILES | CACTVS | 3.341 | CCCc1cc(ccc1OCCCN2CCCc3c(OC(C)(C)C(O)=O)cccc23)C(=O)c4ccc(cc4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C38H41NO5/c1-4-11-30-26-31(36(40)29-19-17-28(18-20-29)27-12-6-5-7-13-27)21-22-34(30)43-25-10-24-39-23-9-14-32-33(39)15-8-16-35(32)44-38(2,3)37(41)42/h5-8,12-13,15-22,26H,4,9-11,14,23-25H2,1-3H3,(H,41,42) |
| InChIKey | InChI | 1.03 | JWJGBYOYIUOQEB-UHFFFAOYSA-N |
