2-(Pyridine-3-carbonyloxy)-succinic acid 4-(4-allyl-2-methoxy-phenyl)ester 1-methyl ester

HCID 53340887
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCc1ccc(OC(=O)CC(OC(=O)c2cccnc2)C(=O)OC)c(OC)c1
InChIKey
HEGHLYXYIZLWQM-UHFFFAOYSA-N
Molecular formula
C21H21NO7
Average molar mass
399.4 g/mol

Names & identifiers

Preferred name
2-(Pyridine-3-carbonyloxy)-succinic acid 4-(4-allyl-2-methoxy-phenyl)ester 1-methyl ester
IUPAC
4-O-(2-methoxy-4-prop-2-enylphenyl) 1-O-methyl 2-(pyridine-3-carbonyloxy)butanedioate

Names & synonyms

SCHEMBL2227339HEGHLYXYIZLWQM-UHFFFAOYSA-N2-(Pyridine-3-carbonyloxy)-succinic acid 4-(4-allyl-2-methoxy-phenyl)ester 1-methyl ester

Database identifiers

PubChem CID
53340887

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
101 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
29

Related reactions

1 records
New reaction record

Compound notes

Loading…