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

Systemtic Name: 6-bromanyl-1-(3-phenylpropyl)-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-bromo-1-(3-phenylpropyl)-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-bromo-1-(3-phenylpropyl)-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-bromo-1-(3-phenylpropyl)-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-bromo-1-(3-phenylpropyl)-3,4-dihydro-2H-$b-carboline-3-carboxylic acid Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=C2C1=C3C=C(C=CC3=N2)Br)CCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(NC(=C2C1=C3C=C(C=CC3=N2)Br)CCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H19BrN2O2/c22-14-9-10-17-15(11-14)16-12-19(21(25)26)23-18(20(16)24-17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,19,23H,4,7-8,12H2,(H,25,26)