3,5-Diethoxy-4-pyrrol-1-yl-benzoic acid ethyl ester

HCID 66912158CAS 909853-90-3
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Basic information

Standard SMILES
CCOC(=O)c1cc(OCC)c(-n2cccc2)c(OCC)c1
InChIKey
JTFUAZQDASGAPH-UHFFFAOYSA-N
Molecular formula
C17H21NO4
Average molar mass
303.35 g/mol
Monoisotopic mass
303.14705815

Names & identifiers

Preferred name
3,5-Diethoxy-4-pyrrol-1-yl-benzoic acid ethyl ester
IUPAC
ethyl 3,5-diethoxy-4-pyrrol-1-ylbenzoate

Names & synonyms

909853-90-3SCHEMBL1121401JTFUAZQDASGAPH-UHFFFAOYSA-NDTXSID901254778DB-203982Ethyl 3,5-diethoxy-4-(1H-pyrrol-1-yl)benzoate3,5-Diethoxy-4-pyrrol-1-yl-benzoic acid ethyl ester3,5-Diethoxy-4-(1h-pyrrol-1-yl)benzoic acid ethyl ester

Database identifiers

CAS
909853-90-3
PubChem CID
66912158
DTXSID
DTXSID901254778

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
49.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
22

Related reactions

19 records
New reaction record

Linked notes

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