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

Systemtic Name: methyl 4-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(1-adamantylcarbamoylamino)-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[4-[[(1-adamantylamino)-oxomethyl]amino]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(1-adamantylcarbamoylamino)piperidino]-4-keto-butyric acid methyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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