8J2

propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate

Created:2017-02-08
Last modified:  2018-02-28

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count2
Bond Count62
Aromatic Bond Count12
2D diagram of 8J2
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Chemical Component Summary

Namepropan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Systematic Name (OpenEye OEToolkits)propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
FormulaC24 H29 N3 O4
Molecular Weight423.505
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3cccc(NC(C)=O)c3
SMILESOpenEye OEToolkits2.0.6CC1CC(c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C
Canonical SMILESCACTVS3.385 CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)c3cccc(NC(C)=O)c3
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C
InChIInChI1.03 InChI=1S/C24H29N3O4/c1-14(2)31-24(30)26-22-11-15(3)27(17(5)29)23-10-9-19(13-21(22)23)18-7-6-8-20(12-18)25-16(4)28/h6-10,12-15,22H,11H2,1-5H3,(H,25,28)(H,26,30)/t15-,22+/m0/s1
InChIKeyInChI1.03 UIHJJMSWZNYBQU-OYHNWAKOSA-N

Related Resource References

Resource NameReference
PubChem 132281873