2-(5-bromanyl-1H-indol-3-yl)-2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(6-fluoroindoxazen-3-yl)piperidino]acetic acid Formula: C22H19BrFN3O3 MolecularWeight: 472.306963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)O

InChI

InChI=1S/C22H19BrFN3O3/c23-13-1-4-18-16(9-13)17(11-25-18)21(22(28)29)27-7-5-12(6-8-27)20-15-3-2-14(24)10-19(15)30-26-20/h1-4,9-12,21,25H,5-8H2,(H,28,29)