[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-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-8-ylprop-2-enoate Traditional Name: (E)-3-(8-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=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C25H25NO3/c1-17(24(28)20-10-13-21(14-11-20)25(2,3)4)29-22(27)15-12-19-8-5-7-18-9-6-16-26-23(18)19/h5-17H,1-4H3/b15-12+