[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C=CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)/C=C/C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H27N3O4/c29-21(27-24(31)28-25-12-16-9-17(13-25)11-18(10-16)14-25)15-32-22(30)7-6-20-4-1-3-19-5-2-8-26-23(19)20/h1-8,16-18H,9-15H2,(H2,27,28,29,31)/b7-6+