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Methyl-7-chloro-3-cyclohexyl-2-(4-methoxyphenyl)-1H-indole-6-carboxylate

HCID 59802475
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)cc3)[nH]c2c1Cl
InChIKey
CXGWQQSCMJVPFP-UHFFFAOYSA-N
Molecular formula
C23H24ClNO3
Average molar mass
397.9 g/mol

Names & identifiers

Preferred name
Methyl-7-chloro-3-cyclohexyl-2-(4-methoxyphenyl)-1H-indole-6-carboxylate
IUPAC
methyl 7-chloro-3-cyclohexyl-2-(4-methoxyphenyl)-1H-indole-6-carboxylate

Names & synonyms

SCHEMBL2288741CXGWQQSCMJVPFP-UHFFFAOYSA-NMethyl-7-chloro-3-cyclohexyl-2-(4-methoxyphenyl)-1H-indole-6-carboxylate

Database identifiers

PubChem CID
59802475

Properties

Computed structural propertiesFilling in

XLogP
6.7
Topological polar surface area
51.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Formal charge
0
Complexity
530

Related reactions

4 records
New reaction record
HRID 1672146 reaction equation
HRID 1672146As reactantuspto-grants-2011_08
HRID 1672148 reaction equation
HRID 1672148As productuspto-grants-2011_08
HRID 2133698 reaction equation
HRID 2133698As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2139805 reaction equation
HRID 2139805As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes