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Methyl 4-[3-[(1-benzylindol-2-yl)methylideneamino]oxypropoxy]-2-hydroxybenzoate

HCID 91556947
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc(OCCCON=Cc2cc3ccccc3n2Cc2ccccc2)cc1O
InChIKey
OBLYLCYTYXXXHJ-UHFFFAOYSA-N
Molecular formula
C27H26N2O5
Average molar mass
458.5 g/mol

Names & identifiers

Preferred name
Methyl 4-[3-[(1-benzylindol-2-yl)methylideneamino]oxypropoxy]-2-hydroxybenzoate
IUPAC
methyl 4-[3-[(1-benzylindol-2-yl)methylideneamino]oxypropoxy]-2-hydroxybenzoate

Names & synonyms

SCHEMBL4798124

Database identifiers

PubChem CID
91556947

Properties

Computed structural properties

XLogP
6
Topological polar surface area
82.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
34
Formal charge
0
Complexity
653

Related reactions

2 records
New reaction record
HRID 811866 reaction equation
HRID 811866As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1570302 reaction equation
HRID 1570302As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes