[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H34N4O5/c31-22(28-24(33)29-26-13-17-10-18(14-26)12-19(11-17)15-26)16-35-23(32)20-6-8-30(9-7-20)25(34)27-21-4-2-1-3-5-21/h1-5,17-20H,6-16H2,(H,27,34)(H2,28,29,31,33)