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

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)NC(=O)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)NC(=O)C

InChI

InChI=1S/C27H40N2O4/c1-16(25-7-18-3-19(8-25)5-20(4-18)9-25)28-23(31)14-33-24(32)26-10-21-6-22(11-26)13-27(12-21,15-26)29-17(2)30/h16,18-22H,3-15H2,1-2H3,(H,28,31)(H,29,30)