SV1
Summary
| Name: | 2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate |
| Formula: | C17 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 283.322 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-phenylethyl (4-amino-2-formylphenyl)acetate |
| OpenEye OEToolkits | 1.9.2 | 2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCCc1ccccc1)Cc2c(cc(N)cc2)C=O |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO3/c18-16-7-6-14(15(10-16)12-19)11-17(20)21-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,18H2 |
| InChIKey | InChI | 1.03 | VKURJRUODVXQJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(CC(=O)OCCc2ccccc2)c(C=O)c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(CC(=O)OCCc2ccccc2)c(C=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N |
