00G
Summary
Name: | 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole |
Formula: | C14 H14 N2 O |
Formal charge: | 0 |
Formula weight: | 226.274 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole |
OpenEye OEToolkits | 1.5.0 | 5-(2-pyrrol-1-ylethoxy)-1H-indole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1cc2c(cc1)ncc2)CCn3cccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | C(Cn1cccc1)Oc2ccc3[nH]ccc3c2 |
SMILES | CACTVS | 3.341 | C(Cn1cccc1)Oc2ccc3[nH]ccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3 |
InChI | InChI | 1.03 | InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2 |
InChIKey | InChI | 1.03 | NSZDJRLPCLOQAM-UHFFFAOYSA-N |