A1H3X
Summary
| Name: | ethyl (~{E})-3-(5-phenylmethoxy-1~{H}-indol-3-yl)prop-2-enoate |
| Formula: | C20 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 321.37 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl (~{E})-3-(5-phenylmethoxy-1~{H}-indol-3-yl)prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H19NO3/c1-2-23-20(22)11-8-16-13-21-19-10-9-17(12-18(16)19)24-14-15-6-4-3-5-7-15/h3-13,21H,2,14H2,1H3/b11-8+ |
| InChIKey | InChI | 1.06 | OEYHZRXVYISBMW-DHZHZOJOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)\C=C\c1c[nH]c2ccc(OCc3ccccc3)cc12 |
| SMILES | CACTVS | 3.385 | CCOC(=O)C=Cc1c[nH]c2ccc(OCc3ccccc3)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)/C=C/c1c[nH]c2c1cc(cc2)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C=Cc1c[nH]c2c1cc(cc2)OCc3ccccc3 |
