[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

InChI

InChI=1S/C20H30N4O3/c25-18(23-16-9-4-2-1-3-5-10-16)15-27-19(26)17-11-6-7-14-24(17)20-21-12-8-13-22-20/h8,12-13,16-17H,1-7,9-11,14-15H2,(H,23,25)