ethyl 1-[1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]nipecotic acid ethyl ester Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H35N3O4/c1-3-29-20(27)18-5-4-6-25(13-18)14(2)19(26)23-21(28)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h14-18H,3-13H2,1-2H3,(H2,23,24,26,28)