2-[2-[4-[7-bromanyl-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[7-bromanyl-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[7-bromo-1-(2-ethoxyethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[7-bromo-1-(2-ethoxyethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[7-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[7-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/c1-2-32-16-15-29-18-22(20-7-5-8-23(27)25(20)29)19-10-12-28(13-11-19)14-17-33-24-9-4-3-6-21(24)26(30)31/h3-9,18-19H,2,10-17H2,1H3,(H,30,31)