4-(methoxymethyl)-6-(2-pyridin-2-ylethynyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-6-(2-pyridin-2-ylethynyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-6-[2-(2-pyridyl)ethynyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-6-[2-(2-pyridinyl)ethynyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-6-(2-pyridin-2-ylethynyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-6-[2-(2-pyridyl)ethynyl]-9H-$b-carboline-3-carboxylic acid Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)C#CC4=CC=CC=N4)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)C#CC4=CC=CC=N4)NC2=CN=C1C(=O)O

InChI

InChI=1S/C21H15N3O3/c1-27-12-16-19-15-10-13(5-7-14-4-2-3-9-22-14)6-8-17(15)24-18(19)11-23-20(16)21(25)26/h2-4,6,8-11,24H,12H2,1H3,(H,25,26)