2-[2-[4-[5-bromanyl-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[5-bromanyl-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[5-bromo-1-(2-ethoxyethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[5-bromo-1-(2-ethoxyethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[5-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[5-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C26H31BrN2O4 MolecularWeight: 515.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=C(C2=C1C=CC(=C2)Br)C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCOCCN1C=C(C2=C1C=CC(=C2)Br)C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H31BrN2O4/c1-2-32-15-14-29-18-23(22-17-20(27)7-8-24(22)29)19-9-11-28(12-10-19)13-16-33-25-6-4-3-5-21(25)26(30)31/h3-8,17-19H,2,9-16H2,1H3,(H,30,31)