methyl 3-[(1-methoxy-1-oxidanylidene-3-piperidin-1-yl-propan-2-yl)carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[(1-methoxy-1-oxidanylidene-3-piperidin-1-yl-propan-2-yl)carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[2-methoxy-2-oxo-1-(1-piperidylmethyl)ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[1-methoxy-1-oxo-3-(1-piperidinyl)propan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-methoxy-1-oxo-3-piperidin-1-ylpropan-2-yl)carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[2-keto-2-methoxy-1-(piperidinomethyl)ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1CCCCC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

COC(=O)C(CN1CCCCC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C22H34N2O5/c1-28-18(25)17(13-24-6-4-3-5-7-24)23-19(26)21-9-15-8-16(10-21)12-22(11-15,14-21)20(27)29-2/h15-17H,3-14H2,1-2H3,(H,23,26)