[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C25H34N2O4/c1-4-18-5-7-21(8-6-18)16(2)26-22(29)14-31-23(30)24-10-19-9-20(11-24)13-25(12-19,15-24)27-17(3)28/h5-8,16,19-20H,4,9-15H2,1-3H3,(H,26,29)(H,27,28)