4-bromanyl-3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-bromo-3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 4-bromo-3-[[4-[1-(1,3-dioxolan-2-ylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-bromo-3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-bromo-3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C25H27BrN2O4 MolecularWeight: 499.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4OCCO4)CC5=C(C=CC(=C5)C(=O)O)Br

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4OCCO4)CC5=C(C=CC(=C5)C(=O)O)Br

InChI

InChI=1S/C25H27BrN2O4/c26-22-6-5-18(25(29)30)13-19(22)14-27-9-7-17(8-10-27)21-15-28(16-24-31-11-12-32-24)23-4-2-1-3-20(21)23/h1-6,13,15,17,24H,7-12,14,16H2,(H,29,30)