CHEBI:93345 - 1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxylic acid

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ChEBI Name 1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxylic acid
ChEBI ID CHEBI:93345
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H19NO3
Net Charge 0
Average Mass 309.360
Monoisotopic Mass 309.13649
InChI InChI=1S/C19H19NO3/c1-13-7-8-14(2)18(11-13)23-10-9-20-12-16(19(21)22)15-5-3-4-6-17(15)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKey LILIWWFBJKBUCO-UHFFFAOYSA-N
SMILES CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C(=O)O
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 1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxylic acid (CHEBI:93345) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-3713 LINCS
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