Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
CC/C(=C(/c1ccc(NC(=O)C2CCN(C3CCN(C)CC3)CC2)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
InChI=1S/C40H52N4O2/c1-3-38(31-9-5-4-6-10-31)39(33-13-17-37(18-14-33)46-30-29-43-23-7-8-24-43)32-11-15-35(16-12-32)41-40(45)34-19-27-44(28-20-34)36-21-25-42(2)26-22-36/h4-6,9-18,34,36H,3,7-8,19-30H2,1-2H3,(H,41,45)/b39-38+
NZZXFVRWVDPWLK-YMZYAJTMSA-N
620.88