[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H25NO3/c1-17(24(28)19-9-12-20(13-10-19)25(2,3)4)29-23(27)16-15-21-14-11-18-7-5-6-8-22(18)26-21/h5-17H,1-4H3/b16-15+