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

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

InChI

InChI=1S/C20H24N4O3/c1-2-15-7-5-8-16(13-15)23-18(25)14-27-19(26)17-9-3-4-12-24(17)20-21-10-6-11-22-20/h5-8,10-11,13,17H,2-4,9,12,14H2,1H3,(H,23,25)