6-bromanyl-1-(2-phenylethanoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-(2-phenylethanoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-bromo-1-(2-phenylacetyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-bromo-1-(1-oxo-2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-bromo-1-(2-phenylacetyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-bromo-1-(2-phenylacetyl)-9H-$b-carboline-3-carboxylic acid Formula: C20H13BrN2O3 MolecularWeight: 409.23282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C2=C3C(=CC(=N2)C(=O)O)C4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C2=C3C(=CC(=N2)C(=O)O)C4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C20H13BrN2O3/c21-12-6-7-15-13(9-12)14-10-16(20(25)26)23-19(18(14)22-15)17(24)8-11-4-2-1-3-5-11/h1-7,9-10,22H,8H2,(H,25,26)