Compound Identification
SMILES
CCOC(C)OC[C@@H]1CCC(=O)N1[C@H]1[C@H](O)C(C)(C)OC2=C1C=C(C=C2)C#N
InChIKey
InChIKey=TVYHMXCORNSZJZ-NLECDASZSA-N
Formula
C21H28N2O5
Mass
388.464
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 2,2-dimethyl-1-benzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
2,2-dimethyl-1-benzopyrans
Alternative Parents
Alkyl aryl ethers Pyrrolidine-2-ones N-alkylpyrrolidines Benzenoids Tertiary carboxylic acid amides Secondary alcohols Lactams Oxacyclic compounds Nitriles Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary alcohol - Acetal - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors
Not available