methyl 3-[[6-(dimethylcarbamoylamino)-1-methoxy-1-oxidanylidene-hex-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[6-(dimethylcarbamoylamino)-1-methoxy-1-oxidanylidene-hex-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[5-(dimethylcarbamoylamino)-1-methoxycarbonyl-pent-3-ynyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[6-[[dimethylamino(oxo)methyl]amino]-1-methoxy-1-oxohex-4-yn-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[6-(dimethylcarbamoylamino)-1-methoxy-1-oxohex-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[1-carbomethoxy-5-(dimethylcarbamoylamino)pent-3-ynyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NCC#CCC(C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)NCC#CCC(C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

InChI

InChI=1S/C23H33N3O6/c1-26(2)21(30)24-8-6-5-7-17(18(27)31-3)25-19(28)22-10-15-9-16(11-22)13-23(12-15,14-22)20(29)32-4/h15-17H,7-14H2,1-4H3,(H,24,30)(H,25,28)