4-(1-bromoethyl)-9-ethanoyl-6-phenoxy-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-(1-bromoethyl)-9-ethanoyl-6-phenoxy-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 9-acetyl-4-(1-bromoethyl)-6-phenoxy-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 9-acetyl-4-(1-bromoethyl)-6-phenoxy-3-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 9-acetyl-4-(1-bromoethyl)-6-phenoxypyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 9-acetyl-4-(1-bromoethyl)-6-phenoxy-$b-carboline-3-carboxylic acid Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C3=C(C=CC(=C3)OC4=CC=CC=C4)N(C2=CN=C1C(=O)O)C(=O)C)Br

Isomeric SMILES

CC(C1=C2C3=C(C=CC(=C3)OC4=CC=CC=C4)N(C2=CN=C1C(=O)O)C(=O)C)Br

InChI

InChI=1S/C22H17BrN2O4/c1-12(23)19-20-16-10-15(29-14-6-4-3-5-7-14)8-9-17(16)25(13(2)26)18(20)11-24-21(19)22(27)28/h3-12H,1-2H3,(H,27,28)