Compound Identification
SMILES
OCC1=CC=C(C=C1)[C@@H]1C[C@H](CN(CC2=CC=CC=C2)CC2=CC=CC=C2)O[C@@H](O1)C1=CC=C(NC(=O)NC23CC4CC(CC(C4)C2)C3)C=C1
InChIKey
InChIKey=XBOJUTBYOSQYHI-VSGCVXSFSA-N
Formula
C43H49N3O4
Mass
671.882
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Phenylmethylamines Benzylamines Benzyl alcohols Aralkylamines 1,3-dioxanes Ureas Trialkylamines Oxacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Benzyl alcohol - Benzylamine - Phenylmethylamine - Aralkylamine - Meta-dioxane - Urea - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available