[3-(2-tert-Butoxycarbonylamino-ethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl]-acetic Acid Ethyl Ester

HCID 69978639
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Basic information

Standard SMILES
CCOC(=O)CC1CCCc2ccc(OCCNC(=O)OC(C)(C)C)cc2C1
InChIKey
GNEGHCBFQJZYJQ-UHFFFAOYSA-N
Molecular formula
C22H33NO5
Average molar mass
391.5 g/mol

Names & identifiers

Preferred name
[3-(2-tert-Butoxycarbonylamino-ethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl]-acetic Acid Ethyl Ester
IUPAC
ethyl 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetate

Names & synonyms

SCHEMBL7073295GNEGHCBFQJZYJQ-UHFFFAOYSA-N[3-(2-tert-Butoxycarbonylamino-ethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl]-acetic Acid Ethyl Ester[3-(2-tert-Butoxycarbonylamino-ethoxy)-6,7,8.9-tetrahydro-5H-benzocyclohepten-6-yl]-acetic acid ethyl ester

Database identifiers

PubChem CID
69978639

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
28

Related reactions

1 records
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Compound notes

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