Chem
J-GLOBAL ID:200907057831622476   Nikkaji number:J2.602.208H

(S)-2α-[(S)-α-(4-Methoxyphenylamino)-4-cyanobenzyl]cyclohexanone

(S)-2α-[(S)-α-(4-メトキシフェニルアミノ)-4-シアノベンジル]シクロヘキサノン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C21H22N2O2
Molecular formula furigana: C21-H22-N2-O2
Molecular weight: 334.419
InChI: InChI=1S/C21H22N2O2/c1-25-18-12-10-17(11-13-18)23-21(19-4-2-3-5-20(19)24)16-8-6-15(14-22)7-9-16/h6-13,19,21,23H,2-5H2,1H3/t19-,21-/m1/s1
InChI key: LLYHRTSLOBTAPZ-TZIWHRDSSA-N
SMILES: COc1ccc(N[C@@H]([C@@H]2CCCCC2=O)c2ccc(cc2)C#N)cc1
Systematic name  (3):
  • (S)-2α-[(S)-α-(4-メトキシフェニルアミノ)-4-シアノベンジル]シクロヘキサノン
  • 4-[(S)-[(4-メトキシフェニル)アミノ][(1S)-2-オキソシクロヘキシル]メチル]ベンゾニトリル
  • 4-[(S)-[(4-methoxyphenyl)amino][(1S)-2-oxocyclohexyl]methyl]benzonitrile
Other name (1):
  • (S)-2α-[(S)-α-(4-Methoxyphenylamino)-4-cyanobenzyl]cyclohexanone
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