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

Systemtic Name: (E)-3-[3-bromanyl-5-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-[2-keto-2-(phenethylamino)ethoxy]-5-methoxy-phenyl]acrylic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H20BrNO5/c1-26-17-12-15(7-8-19(24)25)11-16(21)20(17)27-13-18(23)22-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3,(H,22,23)(H,24,25)/b8-7+