ethyl 6-(2-phenylethynyl)-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 6-(2-phenylethynyl)-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 6-(2-phenylethynyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 6-(2-phenylethynyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-phenylethynyl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-(2-phenylethynyl)-9H-$b-carboline-3-carboxylic acid ethyl ester Formula: C22H16N2O2 MolecularWeight: 340.37464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C(=C1)C3=C(N2)C=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC=C2C(=C1)C3=C(N2)C=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C22H16N2O2/c1-2-26-22(25)20-13-18-17-12-16(9-8-15-6-4-3-5-7-15)10-11-19(17)24-21(18)14-23-20/h3-7,10-14,24H,2H2,1H3