4-chloranyl-4-(methoxymethyl)-1-(2-phenylethynyl)pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-chloranyl-4-(methoxymethyl)-1-(2-phenylethynyl)pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-chloro-4-(methoxymethyl)-1-(2-phenylethynyl)pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-chloro-4-(methoxymethyl)-1-(2-phenylethynyl)-3-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 4-chloro-4-(methoxymethyl)-1-(2-phenylethynyl)pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-chloro-4-(methoxymethyl)-1-(2-phenylethynyl)-$b-carboline-3-carboxylic acid Formula: C22H15ClN2O3 MolecularWeight: 390.8191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1(C2=C3C=CC=CC3=NC2=C(N=C1C(=O)O)C#CC4=CC=CC=C4)Cl

Isomeric SMILES

COCC1(C2=C3C=CC=CC3=NC2=C(N=C1C(=O)O)C#CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H15ClN2O3/c1-28-13-22(23)18-15-9-5-6-10-16(15)24-19(18)17(25-20(22)21(26)27)12-11-14-7-3-2-4-8-14/h2-10H,13H2,1H3,(H,26,27)