5-[2-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]ethoxy]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 5-[2-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]ethoxy]-1-methyl-indole-2-carboxylic acid Openeye Name: 5-[2-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethoxy]-1-methyl-indole-2-carboxylic acid CAS Name: 5-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 5-[2-[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethoxy]-1-methylindole-2-carboxylic acid Traditional Name: 5-[2-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethoxy]-1-methyl-indole-2-carboxylic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OCCNCC(C3=CN=C(C=C3)N)O)C=C1C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)OCCNCC(C3=CN=C(C=C3)N)O)C=C1C(=O)O

InChI

InChI=1S/C19H22N4O4/c1-23-15-4-3-14(8-13(15)9-16(23)19(25)26)27-7-6-21-11-17(24)12-2-5-18(20)22-10-12/h2-5,8-10,17,21,24H,6-7,11H2,1H3,(H2,20,22)(H,25,26)