LMC

(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal

Created:2008-12-09
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count42
Aromatic Bond Count6
2D diagram of LMC

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Chemical Component Summary

Name(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal
Synonyms(2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal
Systematic Name (OpenEye OEToolkits)(2E,4E,6E)-3-methyl-6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienal
FormulaC18 H21 N O
Molecular Weight267.365
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C\C=C(\C=C\C=C2\N(c1ccccc1C2(C)C)C)C
SMILESCACTVS3.341CN1c2ccccc2C(C)(C)C1=CC=CC(C)=CC=O
SMILESOpenEye OEToolkits1.5.0CC(=CC=O)C=CC=C1C(c2ccccc2N1C)(C)C
Canonical SMILESCACTVS3.341 CN1c2ccccc2C(C)(C)/C1=C\C=C\C(/C)=C/C=O
Canonical SMILESOpenEye OEToolkits1.5.0 C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C
InChIInChI1.03 InChI=1S/C18H21NO/c1-14(12-13-20)8-7-11-17-18(2,3)15-9-5-6-10-16(15)19(17)4/h5-13H,1-4H3/b8-7+,14-12+,17-11+
InChIKeyInChI1.03 UGINWNVBXWWHCS-RZZAMGAFSA-N

Related Resource References

Resource NameReference
PubChem 49867245