V6M
Summary
| Name: | 7-methyl-3-phenyl-1H-indole-2-carboxylic acid |
| Formula: | C16 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 251.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-methyl-3-phenyl-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 7-methyl-3-phenyl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(c(c1ccccc1)c3c(n2)c(ccc3)C)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | OSOLISRTJWBBIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O |
