JMP
Summary
| Name: | 2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid |
| Synonyms: | N-(3-Isopropoxy-phenyl)-phthalamicacid |
| Formula: | C17 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 299.321 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[(3-propan-2-yloxyphenyl)carbamoyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)Oc1cccc(NC(=O)c2ccccc2C(O)=O)c1 |
| SMILES | CACTVS | 3.352 | CC(C)Oc1cccc(NC(=O)c2ccccc2C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO4/c1-11(2)22-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | KYJJIYQTBSEESE-UHFFFAOYSA-N |
