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

Systemtic Name: 2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]acetic acid CAS Name: 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-(6-fluoroindoxazen-3-yl)piperidino]acetic acid Formula: C29H26FN3O4 MolecularWeight: 499.532843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)C(C4=CNC5=C4C=C(C=C5)OCC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)C(C4=CNC5=C4C=C(C=C5)OCC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C29H26FN3O4/c30-20-6-8-22-26(14-20)37-32-27(22)19-10-12-33(13-11-19)28(29(34)35)24-16-31-25-9-7-21(15-23(24)25)36-17-18-4-2-1-3-5-18/h1-9,14-16,19,28,31H,10-13,17H2,(H,34,35)