(E)-3-[5-bromanyl-2-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-bromanyl-2-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[5-bromo-2-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[5-bromo-2-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoate IUPAC Name: (E)-3-[5-bromo-2-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoate Traditional Name: (E)-3-[5-bromo-2-[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethoxy]phenyl]acrylate Formula: C15H15BrNO4- MolecularWeight: 353.1879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2)Br)C=CC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)OC2=C(C=C(C=C2)Br)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H16BrNO4/c1-9(15(20)17-12-4-5-12)21-13-6-3-11(16)8-10(13)2-7-14(18)19/h2-3,6-9,12H,4-5H2,1H3,(H,17,20)(H,18,19)/p-1/b7-2+/t9-/m0/s1