Chem
J-GLOBAL ID:200907029790291288
Nikkaji number:J342.037J
N-[[(3S)-6-Cyano-3,4-dihydro-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran]-4-yl]carbamic acid ethyl ester
エチル N-[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]カルバマート
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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:
C15 H18 N2 O4
Molecular formula furigana:
C15-H18-N2-O4
Molecular weight:
290.319
InChI:
InChI=1S/C15H18N2O4/c1-4-20-14(19)17-12-10-7-9(8-16)5-6-11(10)21-15(2,3)13(12)18/h5-7,12-13,18H,4H2,1-3H3,(H,17,19)/t12?,13-/m0/s1
InChI key:
SHIQGSQNHQOUPD-ABLWVSNPSA-N
SMILES:
CCOC(=O)NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Systematic name (3):
N-[[(3S)-6-シアノ-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-2H-1-ベンゾピラン]-4-イル]カルバミド酸エチル
エチル N-[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]カルバマート
ethyl N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]carbamate
Other name (1):
N-[[(3S)-6-Cyano-3,4-dihydro-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran]-4-yl]carbamic acid ethyl ester
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