(E)-3-[2-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-bromo-5-ethoxy-4-[2-keto-2-(phenethylamino)ethoxy]phenyl]acrylic acid Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=CC(=O)O)Br)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C/C(=O)O)Br)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H22BrNO5/c1-2-27-18-12-16(8-9-21(25)26)17(22)13-19(18)28-14-20(24)23-11-10-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,23,24)(H,25,26)/b9-8+