CHEBI:109690 - 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester

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ChEBI Name 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester ChEBI ID CHEBI:109690 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H20ClN3O5 Net Charge 0 Average Mass 429.854 Monoisotopic Mass 429.10915 InChI InChI=1S/C21H20ClN3O5/c1-3-25(13-5-7-16-17(9-13)30-11-29-16)10-18(26)24-19-14-8-12(22)4-6-15(14)23-20(19)21(27)28-2/h4-9,23H,3,10-11H2,1-2H3,(H,24,26) InChIKey JBAHTOFBDDWQRM-UHFFFAOYSA-N SMILES CCN(CC(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)C3=CC4=C(C=C3)OCO4 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester (CHEBI:109690) is a indolyl carboxylic acid (CHEBI:46867) Manual Xref Database LSM-21118 LINCS View more database links