3-[[4-[5-bromanyl-1-(3-methoxypropyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C=C(C2=C1C=CC(=C2)Br)C3CCN(CC3)CC4=CC=CC(=C4OC)C(=O)O

Isomeric SMILES

COCCCN1C=C(C2=C1C=CC(=C2)Br)C3CCN(CC3)CC4=CC=CC(=C4OC)C(=O)O

InChI

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