Chemical Component Summary

Name2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
Identifiers2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
FormulaC21 H18 N2 O5
Molecular Weight378.378
TypeNON-POLYMER
Isomeric SMILESCOc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O
InChIInChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
InChIKeyQSWJSOQQNWMPME-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL3775272
PubChem 135567042
ChEMBL CHEMBL3775272