K97
Summary
| Name: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid |
| Formula: | C14 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 260.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c3cc1c(c(cn1)CN2CCOCC2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O3/c17-14(18)10-1-2-12-11(8-15-13(12)7-10)9-16-3-5-19-6-4-16/h1-2,7-8,15H,3-6,9H2,(H,17,18) |
| InChIKey | InChI | 1.03 | PGNDNJYNINUQIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2c(CN3CCOCC3)c[nH]c2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2c(CN3CCOCC3)c[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3 |
