4-[[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(5-bromo-2-ethoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]methyl]benzoic acid Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H18BrNO4/c1-2-25-17-9-8-16(20)11-15(17)7-10-18(22)21-12-13-3-5-14(6-4-13)19(23)24/h3-11H,2,12H2,1H3,(H,21,22)(H,23,24)/b10-7+