MX5
Summary
| Name: | {1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID |
| Synonyms: | {N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID |
| Formula: | C15 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 305.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {1-[4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobutanoyl]hydrazino}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[amino-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-butanoyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NN(CC(O)=O)C(=O)CCC(=O)N1CCCc2ccccc12 |
| SMILES | CACTVS | 3.341 | NN(CC(O)=O)C(=O)CCC(=O)N1CCCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3O4/c16-18(10-15(21)22)14(20)8-7-13(19)17-9-3-5-11-4-1-2-6-12(11)17/h1-2,4,6H,3,5,7-10,16H2,(H,21,22) |
| InChIKey | InChI | 1.03 | YSHCCGXJNYTHDM-UHFFFAOYSA-N |
