Diethyl 1-(1-naphthalenylmethyl)pyrrole-3,4-dicarboxylate (HCID 23503264)

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Basic information

Standard SMILES: CCOC(=O)c1cn(Cc2cccc3ccccc23)cc1C(=O)OCC
InChIKey: DPBDIYQFSCRHRK-UHFFFAOYSA-N
Molecular formula: C21H21NO4
Average molar mass: 351.4 g/mol
Monoisotopic mass: 351.14705815

Names & identifiers

Preferred name: Diethyl 1-(1-naphthalenylmethyl)pyrrole-3,4-dicarboxylate
IUPAC: diethyl 1-(naphthalen-1-ylmethyl)pyrrole-3,4-dicarboxylate

Names & synonyms

SCHEMBL6842436DPBDIYQFSCRHRK-UHFFFAOYSA-NDiethyl 1-(1-naphthalenylmethyl)pyrrole-3,4dicarboxylatediethyl 1-(1-naphthalenylmethyl)pyrrole-3,4-dicarboxylate

Database identifiers

PubChem CID: 23503264

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 468

Related reactions

3 records

New reaction record

HRID 1571669As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1835150As productuspto-grants-2004_08

HRID 1835151As reactantuspto-grants-2004_08

Compound notes

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