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Benzyl 1-(4-ethoxycarbonylbutyl)indole-2-carboxylate

HCID 19085282
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCCCn1c(C(=O)OCc2ccccc2)cc2ccccc21
InChIKey
HZBISTLNFKPRKD-UHFFFAOYSA-N
Molecular formula
C23H25NO4
Average molar mass
379.4 g/mol
Monoisotopic mass
379.17835828

Names & identifiers

Preferred name
Benzyl 1-(4-ethoxycarbonylbutyl)indole-2-carboxylate
IUPAC
benzyl 1-(5-ethoxy-5-oxopentyl)indole-2-carboxylate

Names & synonyms

SCHEMBL8689867HZBISTLNFKPRKD-UHFFFAOYSA-Nbenzyl 1-(4-ethoxycarbonylbutyl)indole-2-carboxylate

Database identifiers

PubChem CID
19085282

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
57.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
28
Formal charge
0
Complexity
503

Related reactions

4 records
New reaction record
HRID 963090 reaction equation
HRID 963090As productuspto-grants-1998_06
HRID 963091 reaction equation
HRID 963091As reactantuspto-grants-1998_06
HRID 1143445 reaction equation
HRID 1143445As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1229210 reaction equation
HRID 1229210As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes