[(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [(1S)-2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [(2S)-1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [(1S)-2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C26H26N2O4/c1-17(24(30)20-10-13-21(14-11-20)28-25(31)26(2,3)4)32-22(29)15-12-19-8-5-7-18-9-6-16-27-23(18)19/h5-17H,1-4H3,(H,28,31)/b15-12+/t17-/m0/s1