6-(Ethoxycarbonyl)-2-isopropyl-1-(pyridin-2-ylmethyl)-1H-indole-3-carboxylic Acid

HCID 69226166
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Basic information

Standard SMILES
CCOC(=O)c1ccc2c(C(=O)O)c(C(C)C)n(Cc3ccccn3)c2c1
InChIKey
RWLASXJYATUTQH-UHFFFAOYSA-N
Molecular formula
C21H22N2O4
Average molar mass
366.4 g/mol
Monoisotopic mass
366.15795719

Names & identifiers

Preferred name
6-(Ethoxycarbonyl)-2-isopropyl-1-(pyridin-2-ylmethyl)-1H-indole-3-carboxylic Acid
IUPAC
6-ethoxycarbonyl-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid

Names & synonyms

SCHEMBL4877513RWLASXJYATUTQH-UHFFFAOYSA-N6-(Ethoxycarbonyl)-2-isopropyl-1-(pyridin-2-ylmethyl)-1H-indole-3-carboxylic Acid

Database identifiers

PubChem CID
69226166

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
81.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
27

Related reactions

8 records
New reaction record

Compound notes

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