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

Systemtic Name: (E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(4-cyclohexylbutanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(4-cyclohexylbutanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[(4-cyclohexyl-1-oxobutyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(4-cyclohexylbutanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(4-cyclohexylbutanoylamino)acrylic acid Formula: C25H28BrNO4 MolecularWeight: 486.39812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCCC(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C25H28BrNO4/c26-21-10-4-5-11-23(21)31-20-15-13-19(14-16-20)17-22(25(29)30)27-24(28)12-6-9-18-7-2-1-3-8-18/h4-5,10-11,13-18H,1-3,6-9,12H2,(H,27,28)(H,29,30)/b22-17+