A1BE4
Summary
| Name: | 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid |
| Formula: | C13 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 226.231 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1cc2c3ccccc3[NH]c2c(C)n1 |
| InChI | InChI | 1.06 | InChI=1S/C13H10N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-6,15H,1H3,(H,16,17) |
| InChIKey | InChI | 1.06 | MFEZJNMQTQMDRQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(cc2c1[nH]c3ccccc23)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1nc(cc2c1[nH]c3ccccc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2 |
