(E)-3-[4-(3-bromanylpyridin-2-yl)oxyphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-bromanylpyridin-2-yl)oxyphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-[(3-bromo-2-pyridyl)oxy]phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-bromopyridin-2-yl)oxyphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-[(3-bromo-2-pyridyl)oxy]phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC=C(C=C2)OC3=C(C=CC=N3)Br)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(C=C2)OC3=C(C=CC=N3)Br)/C(=O)O

InChI

InChI=1S/C22H23BrN2O4/c23-18-6-3-13-24-21(18)29-17-10-7-16(8-11-17)14-19(22(27)28)25-20(26)12-9-15-4-1-2-5-15/h3,6-8,10-11,13-15H,1-2,4-5,9,12H2,(H,25,26)(H,27,28)/b19-14+