2-[8-bromanyl-2-(phenylcarbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethanoic acid

Systemtic Name: 2-[8-bromanyl-2-(phenylcarbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethanoic acid Openeye Name: 2-(2-benzoyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid CAS Name: 2-(2-benzoyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid IUPAC Name: 2-(2-benzoyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid Traditional Name: 2-(2-benzoyl-8-bromo-3,4-dihydro-1H-pyrid[4,3-b]indol-5-yl)acetic acid Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1N(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17BrN2O3/c21-14-6-7-17-15(10-14)16-11-22(20(26)13-4-2-1-3-5-13)9-8-18(16)23(17)12-19(24)25/h1-7,10H,8-9,11-12H2,(H,24,25)