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

Systemtic Name: 4-(methoxymethyl)-6-(4-methylsulfonylphenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-6-(4-methylsulfonylphenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-6-(4-methylsulfonylphenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-6-(4-methylsulfonylphenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(4-mesylphenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S/c1-28-11-16-19-15-9-13(29-12-3-6-14(7-4-12)30(2,26)27)5-8-17(15)23-18(19)10-22-20(16)21(24)25/h3-10,23H,11H2,1-2H3,(H,24,25)