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5-(1-bromoethyl)-9-ethanoyl-pyrido[3,4-b]indole-3-carboxylic acid

5-(1-bromoethyl)-9-ethanoyl-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name:5-(1-bromoethyl)-9-ethanoyl-pyrido[3,4-b]indole-3-carboxylic acid
Openeye Name:9-acetyl-5-(1-bromoethyl)pyrido[3,4-b]indole-3-carboxylic acid
CAS Name:9-acetyl-5-(1-bromoethyl)-3-pyrido[3,4-b]indolecarboxylic acid
IUPAC Name:9-acetyl-5-(1-bromoethyl)pyrido[3,4-b]indole-3-carboxylic acid
Traditional Name:9-acetyl-5-(1-bromoethyl)-$b-carboline-3-carboxylic acid
Formula: C16H13BrN2O3
MolecularWeight: 361.19002
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=CC=C1)N(C3=CN=C(C=C32)C(=O)O)C(=O)C)Br


Isomeric SMILES

CC(C1=C2C(=CC=C1)N(C3=CN=C(C=C32)C(=O)O)C(=O)C)Br


InChI

InChI=1S/C16H13BrN2O3/c1-8(17)10-4-3-5-13-15(10)11-6-12(16(21)22)18-7-14(11)19(13)9(2)20/h3-8H,1-2H3,(H,21,22)


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