Benzyl 4-carboxy-1-(3,4-dichlorobenzyl)cyclopenta[b]pyrrole-2-carboxylate

HCID 21702192
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Basic information

Standard SMILES
O=C(O)C1=CC=C2C1=CC(C(=O)OCc1ccccc1)N2Cc1ccc(Cl)c(Cl)c1
InChIKey
IANAREXOTADKOU-UHFFFAOYSA-N
Molecular formula
C23H17Cl2NO4
Average molar mass
442.3 g/mol
Monoisotopic mass
441.0534634

Names & identifiers

Preferred name
Benzyl 4-carboxy-1-(3,4-dichlorobenzyl)cyclopenta[b]pyrrole-2-carboxylate
IUPAC
1-[(3,4-dichlorophenyl)methyl]-2-phenylmethoxycarbonyl-2H-cyclopenta[b]pyrrole-4-carboxylic acid

Names & synonyms

SCHEMBL7048425IANAREXOTADKOU-UHFFFAOYSA-NBenzyl 4-carboxy-1-(3,4-dichlorobenzyl)cyclopenta[b]pyrrole-2-carboxylate

Database identifiers

PubChem CID
21702192

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
30

Related reactions

4 records
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Compound notes

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