Compound Identification
SMILES
CCCCOC1C(OC(=O)C2=CC=C(F)C=C2)C(C)(C)OC2=C1C=C(NCC1=CC=C(F)C=C1)C=C2
InChIKey
InChIKey=PYBDASPBKPUBKU-UHFFFAOYSA-N
Formula
C29H31F2NO4
Mass
495.567
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
4-halobenzoic acids and derivatives Benzoic acid esters Phenylmethylamines Benzylamines Benzoyl derivatives Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Fluorobenzenes Aryl fluorides Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Organofluorides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Organic oxide - 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