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

Systemtic Name: 6-(4-bromanylphenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(4-bromophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(4-bromophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(4-bromophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(4-bromophenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O4/c1-26-10-15-18-14-8-13(27-12-4-2-11(21)3-5-12)6-7-16(14)23-17(18)9-22-19(15)20(24)25/h2-9,23H,10H2,1H3,(H,24,25)