[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H23FN4O3 MolecularWeight: 386.420023

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

InChI

InChI=1S/C20H23FN4O3/c1-24(13-15-6-4-7-16(21)12-15)18(26)14-28-19(27)17-8-2-3-11-25(17)20-22-9-5-10-23-20/h4-7,9-10,12,17H,2-3,8,11,13-14H2,1H3