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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC1=CC=CC(=C1)C=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-11(15(20)17-16(2,3)4)21-13-7-5-6-12(10-13)8-9-14(18)19/h5-11H,1-4H3,(H,17,20)(H,18,19)/p-1/b9-8+/t11-/m0/s1