(Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(3-methylbutanoylamino)prop-2-enoic acid

Systemtic Name: (Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(3-methylbutanoylamino)prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(3-methylbutanoylamino)prop-2-enoic acid CAS Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(3-methyl-1-oxobutyl)amino]-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(3-methylbutanoylamino)prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(isovalerylamino)acrylic acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=CC1=CC=C(C=C1)OC2=CC=CC=C2Br)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N/C(=C\C1=CC=C(C=C1)OC2=CC=CC=C2Br)/C(=O)O

InChI

InChI=1S/C20H20BrNO4/c1-13(2)11-19(23)22-17(20(24)25)12-14-7-9-15(10-8-14)26-18-6-4-3-5-16(18)21/h3-10,12-13H,11H2,1-2H3,(H,22,23)(H,24,25)/b17-12-