tert-Butyl 1-(2-methoxy-2-oxoethyl)isoindoline-2-carboxylate

HCID 58777840

Basic information

Standard SMILES
COC(=O)CC1c2ccccc2CN1C(=O)OC(C)(C)C
InChIKey
MZBJCRNZEDCXLB-UHFFFAOYSA-N
Molecular formula
C16H21NO4
Average molar mass
291.34 g/mol
Monoisotopic mass
291.14705815

Names & identifiers

Preferred name
tert-Butyl 1-(2-methoxy-2-oxoethyl)isoindoline-2-carboxylate
IUPAC
tert-butyl 1-(2-methoxy-2-oxoethyl)-1,3-dihydroisoindole-2-carboxylate

Names & synonyms

tert-Butyl 1-(2-methoxy-2-oxoethyl)isoindoline-2-carboxylate444583-12-4tert-butyl 1-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-isoindole-2-carboxylateSCHEMBL4857225MZBJCRNZEDCXLB-UHFFFAOYSA-N1-Methoxycarbonylmethyl-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
58777840

Properties

Computed structural properties

XLogP
2
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Related reactions

9 records

Compound notes

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