Compound Identification
SMILES
Cl.NC(=O)C=C.C[C@H]1[C@H]2CC3=C(C=C(OC(=O)C=C)C=C3)[C@]1(C)CCN2CC1=COC=C1
InChIKey
InChIKey=GZRZRWFFXFCMQV-DXIZSRMNSA-N
Formula
C25H31ClN2O4
Mass
458.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
6,7-benzomorphans
- Subclass 2,6-dimethyl-3-benzazocines
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Class
6,7-benzomorphans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-benzomorphans
Subclass
2,6-dimethyl-3-benzazocines
Intermediate Tree Nodes
Not available
Direct Parent
2,6-dimethyl-3-benzazocines
Alternative Parents
Benzazocines Tetralins Phenol esters Aralkylamines Piperidines Acrylic acid esters Enoate esters Heteroaromatic compounds Furans Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
2,6-dimethyl-3-benzazocine - Benzazocine - Tetralin - Phenol ester - Aralkylamine - Benzenoid - Acrylic acid ester - Piperidine - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Furan - Tertiary aliphatic amine - Primary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Carbonyl group - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-positions.
External Descriptors
Not available