tert-butyl 4-[3-[3-[2-(2-adamantyloxycarbonyl)but-3-ynylcarbamoyl]piperidin-1-yl]-3-oxidanylidene-propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[3-[2-(2-adamantyloxycarbonyl)but-3-ynylcarbamoyl]piperidin-1-yl]-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-[2-(2-adamantyloxycarbonyl)but-3-ynylcarbamoyl]-1-piperidyl]-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[3-[[2-[2-adamantyloxy(oxo)methyl]but-3-ynylamino]-oxomethyl]-1-piperidinyl]-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-[2-(2-adamantyloxycarbonyl)but-3-ynylcarbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[3-[3-[2-(2-adamantyloxycarbonyl)but-3-ynylcarbamoyl]piperidino]-3-keto-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C34H51N3O6 MolecularWeight: 597.78524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CCCC(C2)C(=O)NCC(C#C)C(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CCCC(C2)C(=O)NCC(C#C)C(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C34H51N3O6/c1-5-25(32(40)42-30-27-16-23-15-24(18-27)19-28(30)17-23)20-35-31(39)26-7-6-12-37(21-26)29(38)9-8-22-10-13-36(14-11-22)33(41)43-34(2,3)4/h1,22-28,30H,6-21H2,2-4H3,(H,35,39)