[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO4/c1-4-5-12(2)19-16(20)11-23-17(21)9-6-13-10-14(18)7-8-15(13)22-3/h6-10,12H,4-5,11H2,1-3H3,(H,19,20)/b9-6+/t12-/m0/s1