2-[4-[3-[3-bromanyl-5-(3-piperidin-1-ylprop-1-ynyl)phenyl]prop-2-ynoxy]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-[3-bromanyl-5-(3-piperidin-1-ylprop-1-ynyl)phenyl]prop-2-ynoxy]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-[3-bromo-5-[3-(1-piperidyl)prop-1-ynyl]phenyl]prop-2-ynoxy]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-[3-bromo-5-[3-(1-piperidinyl)prop-1-ynyl]phenyl]prop-2-ynoxy]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-[3-bromo-5-(3-piperidin-1-ylprop-1-ynyl)phenyl]prop-2-ynoxy]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-[3-bromo-5-(3-piperidinoprop-1-ynyl)phenyl]prop-2-ynoxy]-2-methyl-phenoxy]acetic acid Formula: C26H26BrNO4 MolecularWeight: 496.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC#CC2=CC(=CC(=C2)C#CCN3CCCCC3)Br)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC#CC2=CC(=CC(=C2)C#CCN3CCCCC3)Br)OCC(=O)O

InChI

InChI=1S/C26H26BrNO4/c1-20-15-24(9-10-25(20)32-19-26(29)30)31-14-6-8-22-16-21(17-23(27)18-22)7-5-13-28-11-3-2-4-12-28/h9-10,15-18H,2-4,11-14,19H2,1H3,(H,29,30)