(E)-3-[4-(2-bromanyl-4-fluoranyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoate

Systemtic Name: (E)-3-[4-(2-bromanyl-4-fluoranyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoate Openeye Name: (E)-3-[4-(2-bromo-4-fluoro-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoate CAS Name: (E)-3-[4-(2-bromo-4-fluorophenoxy)phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoate IUPAC Name: (E)-3-[4-(2-bromo-4-fluorophenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoate Traditional Name: (E)-3-[4-(2-bromo-4-fluoro-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)acrylate Formula: C23H22BrFNO4- MolecularWeight: 475.327483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)F)Br)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(C=C2)OC3=C(C=C(C=C3)F)Br)/C(=O)[O-]

InChI

InChI=1S/C23H23BrFNO4/c24-19-14-17(25)8-11-21(19)30-18-9-5-16(6-10-18)13-20(23(28)29)26-22(27)12-7-15-3-1-2-4-15/h5-6,8-11,13-15H,1-4,7,12H2,(H,26,27)(H,28,29)/p-1/b20-13+