skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid

Preferred term

2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H25NO3S

inchi

  • InChI=1S/C21H25NO3S/c23-19(13-21(14-20(24)25)10-2-1-3-11-21)22-15-16-6-8-17(9-7-16)18-5-4-12-26-18/h4-9,12H,1-3,10-11,13-15H2,(H,22,23)(H,24,25)

inchikey

  • XNTWJMJXMUOEAK-UHFFFAOYSA-N

mass

  • 371.495

monoisotopicmass

  • 371.15551

smiles

  • C1CCC(CC1)(CC(=O)NCC2=CC=C(C=C2)C3=CC=CS3)CC(=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109372

Download this concept: