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

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-bromanyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(5-bromo-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-(5-bromo-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-bromo-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-(5-bromo-1H-indol-3-yl)acetic acid Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)O

InChI

InChI=1S/C22H20BrN3O3/c23-14-5-6-17-15(11-14)16(12-24-17)20(22(27)28)26-9-7-13(8-10-26)21-25-18-3-1-2-4-19(18)29-21/h1-6,11-13,20,24H,7-10H2,(H,27,28)