(E)-3-[5-bromanyl-2-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-bromanyl-2-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[2-(isopropylamino)-1-methyl-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-[2-(isopropylamino)-2-keto-1-methyl-ethoxy]phenyl]acrylic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC1=C(C=C(C=C1)Br)C=CC(=O)O

Isomeric SMILES

CC(C)NC(=O)C(C)OC1=C(C=C(C=C1)Br)/C=C/C(=O)O

InChI

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