Carbethoxymethyl beta-carbolin-3-carboxylate

HCID 20059983
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Basic information

Standard SMILES
CCOC(=O)COC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIKey
CKLVFXMNFMZNDN-UHFFFAOYSA-N
Molecular formula
C16H14N2O4
Average molar mass
298.29 g/mol

Names & identifiers

Preferred name
Carbethoxymethyl beta-carbolin-3-carboxylate
IUPAC
(2-ethoxy-2-oxoethyl) 9H-pyrido[3,4-b]indole-3-carboxylate

Names & synonyms

SCHEMBL7379654CKLVFXMNFMZNDN-UHFFFAOYSA-Ncarbethoxymethyl beta-carbolin-3-carboxylate

Database identifiers

PubChem CID
20059983

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
81.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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