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

Systemtic Name: 6-bromanyl-1-phenethyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-bromo-1-phenethyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-bromo-1-phenethyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-bromo-1-phenethyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-bromo-1-phenethyl-3,4-dihydro-2H-$b-carboline-3-carboxylic acid Formula: C20H17BrN2O2 MolecularWeight: 397.26518

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=C2C1=C3C=C(C=CC3=N2)Br)CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(NC(=C2C1=C3C=C(C=CC3=N2)Br)CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H17BrN2O2/c21-13-7-9-16-14(10-13)15-11-18(20(24)25)22-17(19(15)23-16)8-6-12-4-2-1-3-5-12/h1-5,7,9-10,18,22H,6,8,11H2,(H,24,25)