CHEBI:109675 - 4-[[7-bicyclo[4.1.0]heptanyl(oxo)methyl]amino]benzoic acid ethyl ester

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ChEBI Name 4-[[7-bicyclo[4.1.0]heptanyl(oxo)methyl]amino]benzoic acid ethyl ester
ChEBI ID CHEBI:109675
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H21NO3
Net Charge 0
Average Mass 287.354
Monoisotopic Mass 287.15214
InChI InChI=1S/C17H21NO3/c1-2-21-17(20)11-7-9-12(10-8-11)18-16(19)15-13-5-3-4-6-14(13)15/h7-10,13-15H,2-6H2,1H3,(H,18,19)
InChIKey VQKYKLMBBOMMNX-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3C2CCCC3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-[[7-bicyclo[4.1.0]heptanyl(oxo)methyl]amino]benzoic acid ethyl ester (CHEBI:109675) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-21103 LINCS
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