ethyl 1-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-adamantylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1-adamantylcarbamoylamino)-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H33N3O4/c1-2-28-19(26)17-3-5-24(6-4-17)13-18(25)22-20(27)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h14-17H,2-13H2,1H3,(H2,22,23,25,27)