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

Systemtic Name: (Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(3-methylpentanoylamino)prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(3-methylpentanoylamino)prop-2-enoic acid CAS Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(3-methyl-1-oxopentyl)amino]-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(3-methylpentanoylamino)prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(3-methylpentanoylamino)acrylic acid Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-3-14(2)12-20(24)23-18(21(25)26)13-15-8-10-16(11-9-15)27-19-7-5-4-6-17(19)22/h4-11,13-14H,3,12H2,1-2H3,(H,23,24)(H,25,26)/b18-13-