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

Systemtic Name: (E)-3-[5-bromanyl-2-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[2-oxo-2-(sec-butylamino)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[2-(butan-2-ylamino)-2-oxoethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-[2-(butan-2-ylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-[2-keto-2-(sec-butylamino)ethoxy]phenyl]acrylic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1)Br)C=CC(=O)O

Isomeric SMILES

CCC(C)NC(=O)COC1=C(C=C(C=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C15H18BrNO4/c1-3-10(2)17-14(18)9-21-13-6-5-12(16)8-11(13)4-7-15(19)20/h4-8,10H,3,9H2,1-2H3,(H,17,18)(H,19,20)/b7-4+