methyl 3-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pent-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pent-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-(1-tert-butoxycarbonylbut-3-ynylcarbamoyl)adamantane-1-carboxylate CAS Name: 3-[[[1-[(2-methylpropan-2-yl)oxy]-1-oxopent-4-yn-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopent-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-(1-tert-butoxycarbonylbut-3-ynylcarbamoyl)adamantane-1-carboxylic acid methyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO5/c1-6-7-16(17(24)28-20(2,3)4)23-18(25)21-9-14-8-15(10-21)12-22(11-14,13-21)19(26)27-5/h1,14-16H,7-13H2,2-5H3,(H,23,25)