[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18BrNO5 MolecularWeight: 384.22182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C=CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)/C=C/C2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C16H18BrNO5/c1-9(16(21)18-11-4-5-11)23-14(19)6-3-10-7-12(17)15(20)13(8-10)22-2/h3,6-9,11,20H,4-5H2,1-2H3,(H,18,21)/b6-3+/t9-/m1/s1