(E)-3-[4-(2-bromanyl-4-cyano-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-bromanyl-4-cyano-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-bromo-4-cyano-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-bromo-4-cyanophenoxy)phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-bromo-4-cyanophenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-bromo-4-cyano-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C24H23BrN2O4 MolecularWeight: 483.35442

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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)C#N)Br)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(C=C2)OC3=C(C=C(C=C3)C#N)Br)/C(=O)O

InChI

InChI=1S/C24H23BrN2O4/c25-20-13-18(15-26)7-11-22(20)31-19-9-5-17(6-10-19)14-21(24(29)30)27-23(28)12-8-16-3-1-2-4-16/h5-7,9-11,13-14,16H,1-4,8,12H2,(H,27,28)(H,29,30)/b21-14+