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

Systemtic Name: 4-bromanyl-3-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-bromo-3-[[4-[1-(2-ethoxyethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 4-bromo-3-[[4-[1-(2-ethoxyethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-bromo-3-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-bromo-3-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C25H29BrN2O3 MolecularWeight: 485.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=C(C=CC(=C4)C(=O)O)Br

Isomeric SMILES

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=C(C=CC(=C4)C(=O)O)Br

InChI

InChI=1S/C25H29BrN2O3/c1-2-31-14-13-28-17-22(21-5-3-4-6-24(21)28)18-9-11-27(12-10-18)16-20-15-19(25(29)30)7-8-23(20)26/h3-8,15,17-18H,2,9-14,16H2,1H3,(H,29,30)