(E)-2-benzamido-3-(3-bromanyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3-bromanyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-propoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-propoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-propoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-propoxy-phenyl)acrylic acid Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C21H22BrNO5/c1-3-10-28-19-16(22)11-14(13-18(19)27-4-2)12-17(21(25)26)23-20(24)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,24)(H,25,26)/b17-12+