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

Systemtic Name: 6-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-ethynyl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-ethynyl-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O3/c1-3-9-4-5-12-10(6-9)14-11(8-21-2)15(16(19)20)17-7-13(14)18-12/h1,4-7,18H,8H2,2H3,(H,19,20)