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

Systemtic Name: 5-[[4-[5-bromanyl-1-(3-methoxypropyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[5-bromo-1-(3-methoxypropyl)indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-[5-bromo-1-(3-methoxypropyl)-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[5-bromo-1-(3-methoxypropyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[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(=C(C=C4)OC)C(=O)O

Isomeric SMILES

COCCCN1C=C(C2=C1C=CC(=C2)Br)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C26H31BrN2O4/c1-32-13-3-10-29-17-23(21-15-20(27)5-6-24(21)29)19-8-11-28(12-9-19)16-18-4-7-25(33-2)22(14-18)26(30)31/h4-7,14-15,17,19H,3,8-13,16H2,1-2H3,(H,30,31)