(E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(5-cyclohexylpentanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(5-cyclohexylpentanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(5-cyclohexylpentanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[(5-cyclohexyl-1-oxopentyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(5-cyclohexylpentanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(5-cyclohexylpentanoylamino)acrylic acid Formula: C26H30BrNO4 MolecularWeight: 500.4247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrNO4/c27-22-11-5-6-12-24(22)32-21-16-14-20(15-17-21)18-23(26(30)31)28-25(29)13-7-4-10-19-8-2-1-3-9-19/h5-6,11-12,14-19H,1-4,7-10,13H2,(H,28,29)(H,30,31)/b23-18+