[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-[ethyl(2-methylallyl)amino]-2-keto-ethyl] ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C

Isomeric SMILES

CCN(CC(=C)C)C(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)NC(=O)C

InChI

InChI=1S/C21H32N2O4/c1-5-23(11-14(2)3)18(25)12-27-19(26)20-7-16-6-17(8-20)10-21(9-16,13-20)22-15(4)24/h16-17H,2,5-13H2,1,3-4H3,(H,22,24)/t16-,17+,20?,21?