N2U

O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate

Created:2022-08-11
Last modified:  2023-09-23

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count2
Bond Count64
Aromatic Bond Count10
2D diagram of N2U

Chemical Component Summary

NameO2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate
Systematic Name (OpenEye OEToolkits)~{O}2-~{tert}-butyl ~{O}3-ethyl ~{O}6-methyl (2~{S},6~{R})-6-(1-methylindol-2-yl)-2,5-dihydro-1~{H}-pyridine-2,3,6-tricarboxylate
FormulaC24 H30 N2 O6
Molecular Weight442.505
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCOC(=O)C1=CC[C](N[CH]1C(=O)OC(C)(C)C)(C(=O)OC)c2cc3ccccc3n2C
SMILESOpenEye OEToolkits2.0.7CCOC(=O)C1=CCC(NC1C(=O)OC(C)(C)C)(c2cc3ccccc3n2C)C(=O)OC
Canonical SMILESCACTVS3.385 CCOC(=O)C1=CC[C@](N[C@@H]1C(=O)OC(C)(C)C)(C(=O)OC)c2cc3ccccc3n2C
Canonical SMILESOpenEye OEToolkits2.0.7 CCOC(=O)C1=CC[C@@](N[C@@H]1C(=O)OC(C)(C)C)(c2cc3ccccc3n2C)C(=O)OC
InChIInChI1.06 InChI=1S/C24H30N2O6/c1-7-31-20(27)16-12-13-24(22(29)30-6,25-19(16)21(28)32-23(2,3)4)18-14-15-10-8-9-11-17(15)26(18)5/h8-12,14,19,25H,7,13H2,1-6H3/t19-,24+/m0/s1
InChIKeyInChI1.06 KITXNGADRUMEPM-YADARESESA-N

Related Resource References

Resource NameReference
PubChem 164885964