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

Systemtic Name: 5-[[4-(5-bromanyl-1-propyl-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-(5-bromo-1-propyl-indol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-(5-bromo-1-propyl-3-indolyl)-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-(5-bromo-1-propylindol-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-(5-bromo-1-propyl-indol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C25H29BrN2O3 MolecularWeight: 485.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)Br)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)Br)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C25H29BrN2O3/c1-3-10-28-16-22(20-14-19(26)5-6-23(20)28)18-8-11-27(12-9-18)15-17-4-7-24(31-2)21(13-17)25(29)30/h4-7,13-14,16,18H,3,8-12,15H2,1-2H3,(H,29,30)