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CHEBI:104025 - 3,4-dimethoxybenzoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

ChEBI IDCHEBI:104025
ChEBI Name3,4-dimethoxybenzoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
Stars
DownloadsMolfile
FormulaC17H23NO4
Net Charge0
Average Mass305.374
Monoisotopic Mass305.16271
SMILESCOc1ccc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)cc1OC
InChIInChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyAEFPCFUCFQBXDQ-CHWSQXEVSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4-dimethoxybenzoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester (CHEBI:104025) is a methoxybenzoic acid (CHEBI:25238)
Manual XrefsDatabases
LSM-15383LINCS