Compound Identification
SMILES
NCC1=CC=CC=C1.CC1C2C=C(C3COC(=O)C4(CO4)C23C=C1C)C(O)=O
InChIKey
InChIKey=IFBNAVDXUJSDEH-UHFFFAOYSA-N
Formula
C22H25NO5
Mass
383.444
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Delta valerolactones Aralkylamines Oxanes Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzylamine - Phenylmethylamine - Delta valerolactone - Delta_valerolactone - Aralkylamine - Dicarboxylic acid or derivatives - Oxane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available