[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC(C)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)OCC(=O)NC(C)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

InChI

InChI=1S/C24H33NO3/c1-16(21-6-4-3-5-7-21)8-23(27)28-15-22(26)25-17(2)24-12-18-9-19(13-24)11-20(10-18)14-24/h3-7,16-20H,8-15H2,1-2H3,(H,25,26)