4-bromanyl-3-[[4-(1-butylpyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[[4-(1-butylpyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-bromo-3-[[4-(1-butylpyrrolo[2,3-c]pyridin-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 4-bromo-3-[[4-(1-butyl-3-pyrrolo[2,3-c]pyridinyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-bromo-3-[[4-(1-butylpyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-bromo-3-[[4-(1-butylpyrrolo[2,3-c]pyridin-3-yl)piperidino]methyl]benzoic acid Formula: C24H28BrN3O2 MolecularWeight: 470.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=NC=C2)C3CCN(CC3)CC4=C(C=CC(=C4)C(=O)O)Br

Isomeric SMILES

CCCCN1C=C(C2=C1C=NC=C2)C3CCN(CC3)CC4=C(C=CC(=C4)C(=O)O)Br

InChI

InChI=1S/C24H28BrN3O2/c1-2-3-10-28-16-21(20-6-9-26-14-23(20)28)17-7-11-27(12-8-17)15-19-13-18(24(29)30)4-5-22(19)25/h4-6,9,13-14,16-17H,2-3,7-8,10-12,15H2,1H3,(H,29,30)