methyl 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[(1-adamantylcarbamoylamino)methyl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[4-[[[(1-adamantylamino)-oxomethyl]amino]methyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidino]-4-keto-butyric acid methyl ester Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCC(CC1)CNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CCC(=O)N1CCC(CC1)CNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H35N3O4/c1-29-20(27)3-2-19(26)25-6-4-15(5-7-25)14-23-21(28)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-18H,2-14H2,1H3,(H2,23,24,28)