5WD
Summary
| Name: | 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid |
| Formula: | C17 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 310.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22) |
| InChIKey | InChI | 1.03 | JPBFPBAFCGZOAS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1[nH]c2ccc(OCc3cccc(c3)C(O)=O)cc2c1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1[nH]c2ccc(OCc3cccc(c3)C(O)=O)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N |
