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

Systemtic Name: (Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(butanoylamino)prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(butanoylamino)prop-2-enoic acid CAS Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(1-oxobutylamino)-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(butanoylamino)prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-butyramido-acrylic acid Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4/c1-2-5-18(22)21-16(19(23)24)12-13-8-10-14(11-9-13)25-17-7-4-3-6-15(17)20/h3-4,6-12H,2,5H2,1H3,(H,21,22)(H,23,24)/b16-12-