Smiles:
COc1ccccc1OCCNC[C@@H](COc1cccc2c1c1ccccc1[nH]2)O

InChIKey:
OGHNVEJMJSYVRP-KRWDZBQONA-N

InChI:

1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1

InChIcol:
1

More information (from its Standard Form):

(S)-Carvedilol

References in which this molecule is mentioned:

Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.

Download the SDF file