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

Systemtic Name: (E)-3-[3-bromanyl-4-(2-bromanylphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-(2-bromophenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-(2-bromophenoxy)phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-4-(2-bromophenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(2-bromophenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C23H23Br2NO4 MolecularWeight: 537.24102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC(=C(C=C2)OC3=CC=CC=C3Br)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H23Br2NO4/c24-17-7-3-4-8-20(17)30-21-11-9-16(13-18(21)25)14-19(23(28)29)26-22(27)12-10-15-5-1-2-6-15/h3-4,7-9,11,13-15H,1-2,5-6,10,12H2,(H,26,27)(H,28,29)/b19-14+