(E)-3-[6-(2-bromanylphenoxy)pyridin-3-yl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[6-(2-bromanylphenoxy)pyridin-3-yl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[6-(2-bromophenoxy)-3-pyridyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[6-(2-bromophenoxy)-3-pyridinyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[6-(2-bromophenoxy)pyridin-3-yl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[6-(2-bromophenoxy)-3-pyridyl]-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=CN=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CN=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C22H23BrN2O4/c23-17-7-3-4-8-19(17)29-21-12-10-16(14-24-21)13-18(22(27)28)25-20(26)11-9-15-5-1-2-6-15/h3-4,7-8,10,12-15H,1-2,5-6,9,11H2,(H,25,26)(H,27,28)/b18-13+