| SpectraBase Spectrum ID |
8YlxOYevGrX |
| Name |
1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[4-(phenylmethyl)-1-piperidinyl]acetyl]amino]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.213364069 u |
| Formula |
C25H32N2O3S |
| InChI |
InChI=1S/C25H32N2O3S/c1-2-30-25(29)23-20-10-6-7-11-21(20)31-24(23)26-22(28)17-27-14-12-19(13-15-27)16-18-8-4-3-5-9-18/h3-5,8-9,19H,2,6-7,10-17H2,1H3,(H,26,28) |
| InChIKey |
SAXXZXDOGDCOQK-UHFFFAOYSA-N |
| Molecular Weight |
440.602 g/mol |
| SMILES |
C1=2CCCCC2C(=C(S1)NC(CN1CCC(CC1)CC=1C=CC=CC1)=O)C(OCC)=O |
![1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[4-(phenylmethyl)-1-piperidinyl]acetyl]amino]-, ethyl ester](/api/spectrum/8YlxOYevGrX/structure.png?h=300&w=458 "1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[4-(phenylmethyl)-1-piperidinyl]acetyl]amino]-, ethyl ester")
