6-(3-chloranyl-2-cyano-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-(3-chloranyl-2-cyano-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(3-chloro-2-cyano-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(3-chloro-2-cyanophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(3-chloro-2-cyanophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(3-chloro-2-cyano-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O4/c1-28-10-14-19-12-7-11(29-18-4-2-3-15(22)13(18)8-23)5-6-16(12)25-17(19)9-24-20(14)21(26)27/h2-7,9,25H,10H2,1H3,(H,26,27)