CHEBI:109169 - 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid

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ChEBI Name 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid
ChEBI ID CHEBI:109169
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H25N3O6
Net Charge 0
Average Mass 415.441
Monoisotopic Mass 415.17434
InChI InChI=1S/C21H25N3O6/c1-28-19-10-14(2-5-18(19)30-13-20(22)25)12-23-15-3-4-17(16(11-15)21(26)27)24-6-8-29-9-7-24/h2-5,10-11,23H,6-9,12-13H2,1H3,(H2,22,25)(H,26,27)
InChIKey DHTXANYWBYFQRT-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC(=O)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid (CHEBI:109169) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-20566 LINCS
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