CHEBI:92584 - (3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid
ChEBI ID CHEBI:92584
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H29FN2O2
Net Charge 0
Average Mass 420.520
Monoisotopic Mass 420.22131
InChI InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23?,25?,26-/m1/s1
InChIKey ZCGOMHNNNFPNMX-YHYDXASRSA-N
SMILES C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F
ChEBI Ontology
Outgoing (3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid (CHEBI:92584) is a piperidines (CHEBI:26151)
Manual Xrefs Databases
HMDB0015238 HMDB
LSM-2731 LINCS
View more database links