A1IOO
Summary
| Name: | 3-[5-bromanyl-2-methyl-1-(phenylcarbonyl)indol-3-yl]propanoic acid |
| Formula: | C19 H16 Br N O3 |
| Formal charge: | 0 |
| Formula weight: | 386.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[5-bromanyl-2-methyl-1-(phenylcarbonyl)indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H16BrNO3/c1-12-15(8-10-18(22)23)16-11-14(20)7-9-17(16)21(12)19(24)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.06 | JNJZEKLLVASXOS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(C(=O)c2ccccc2)c3ccc(Br)cc3c1CCC(O)=O |
| SMILES | CACTVS | 3.385 | Cc1n(C(=O)c2ccccc2)c3ccc(Br)cc3c1CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cc(ccc2n1C(=O)c3ccccc3)Br)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cc(ccc2n1C(=O)c3ccccc3)Br)CCC(=O)O |
