8P3
Summary
| Name: | 2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid |
| Formula: | C16 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 267.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(2-oxidanylidene-3H-indol-1-yl)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1CN3c2ccccc2CC3=O |
| InChI | InChI | 1.03 | InChI=1S/C16H13NO3/c18-15-9-11-5-2-4-8-14(11)17(15)10-12-6-1-3-7-13(12)16(19)20/h1-8H,9-10H2,(H,19,20) |
| InChIKey | InChI | 1.03 | UJOFLRHFFVIBEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1CN2C(=O)Cc3ccccc23 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1CN2C(=O)Cc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O |
