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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C=CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H27NO3/c1-16(24(28)25-13-17-10-18(14-25)12-19(11-17)15-25)29-22(27)8-7-21-5-2-4-20-6-3-9-26-23(20)21/h2-9,16-19H,10-15H2,1H3/b8-7+