(Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(pentanoylamino)prop-2-enoate

Systemtic Name: (Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(pentanoylamino)prop-2-enoate Openeye Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(pentanoylamino)prop-2-enoate CAS Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(1-oxopentylamino)-2-propenoate IUPAC Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(pentanoylamino)prop-2-enoate Traditional Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(valerylamino)acrylate Formula: C20H19BrNO4- MolecularWeight: 417.27316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=CC1=CC=C(C=C1)OC2=CC=CC=C2Br)C(=O)[O-]

Isomeric SMILES

CCCCC(=O)N/C(=C\C1=CC=C(C=C1)OC2=CC=CC=C2Br)/C(=O)[O-]

InChI

InChI=1S/C20H20BrNO4/c1-2-3-8-19(23)22-17(20(24)25)13-14-9-11-15(12-10-14)26-18-7-5-4-6-16(18)21/h4-7,9-13H,2-3,8H2,1H3,(H,22,23)(H,24,25)/p-1/b17-13-