[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(2,4-dimethylquinolin-3-yl)ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(2,4-dimethylquinolin-3-yl)ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(2,4-dimethyl-3-quinolyl)acetate CAS Name: 2-(2,4-dimethyl-3-quinolinyl)acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(2,4-dimethylquinolin-3-yl)acetate Traditional Name: 2-(2,4-dimethyl-3-quinolyl)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29NO3/c1-15-20-5-3-4-6-22(20)26-16(2)21(15)10-24(28)29-14-23(27)25-11-17-7-18(12-25)9-19(8-17)13-25/h3-6,17-19H,7-14H2,1-2H3