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

Systemtic Name: 6-(4-azanyl-3-cyano-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(4-amino-3-cyano-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(4-amino-3-cyanophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(4-amino-3-cyanophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(4-amino-3-cyano-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OC4=CC(=C(C=C4)N)C#N)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OC4=CC(=C(C=C4)N)C#N)NC2=CN=C1C(=O)O

InChI

InChI=1S/C21H16N4O4/c1-28-10-15-19-14-7-13(29-12-2-4-16(23)11(6-12)8-22)3-5-17(14)25-18(19)9-24-20(15)21(26)27/h2-7,9,25H,10,23H2,1H3,(H,26,27)