(E)-3-[2-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoate Openeye Name: (E)-3-[2-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[2-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoate IUPAC Name: (E)-3-[2-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoate Traditional Name: (E)-3-[2-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]phenyl]acrylate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)OC1=CC=CC=C1C=CC(=O)[O-]

Isomeric SMILES

CCCCNC(=O)[C@H](C)OC1=CC=CC=C1/C=C/C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-3-4-11-17-16(20)12(2)21-14-8-6-5-7-13(14)9-10-15(18)19/h5-10,12H,3-4,11H2,1-2H3,(H,17,20)(H,18,19)/p-1/b10-9+/t12-/m0/s1