[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-benzyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylmethoxyphenyl)-2-propenoic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)acrylic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C=CC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)OC(=O)/C=C/C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO4/c1-17(22(26)24-23(2,3)4)28-21(25)15-12-18-10-13-20(14-11-18)27-16-19-8-6-5-7-9-19/h5-15,17H,16H2,1-4H3,(H,24,26)/b15-12+/t17-/m0/s1