JFC

ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate

Created:	2022-04-26
Last modified:	2023-04-05

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1 entries where JFC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	16

2D diagram of JFC

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Chemical Component Summary
Name	ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate
Systematic Name (OpenEye OEToolkits)	ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate
Formula	C₂₂ H₂₅ N₃ O₃
Molecular Weight	379.452
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4
Canonical SMILES	CACTVS	3.385	CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4
InChI	InChI	1.06	InChI=1S/C22H25N3O3/c1-2-28-22(26)21-16-19-15-18(17-5-7-23-8-6-17)3-4-20(19)25(21)10-9-24-11-13-27-14-12-24/h3-8,15-16H,2,9-14H2,1H3
InChIKey	InChI	1.06	QBLOLELCAHJBDE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	167530892

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