[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H28N2O3/c27-22(26-24-12-16-9-17(13-24)11-18(10-16)14-24)15-29-23(28)8-7-20-6-5-19-3-1-2-4-21(19)25-20/h1-6,16-18H,7-15H2,(H,26,27)