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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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