[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-[[(1R)-1,2-dimethylpropyl]amino]-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 [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C=CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

C[C@H](C(C)C)NC(=O)COC(=O)/C=C/C1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C17H22BrNO5/c1-10(2)11(3)19-15(20)9-24-16(21)6-5-12-7-13(18)17(22)14(8-12)23-4/h5-8,10-11,22H,9H2,1-4H3,(H,19,20)/b6-5+/t11-/m1/s1