methyl 2-[1-(6-oxidanylidenepyrimidin-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 2-[1-(6-oxidanylidenepyrimidin-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 2-[1-(6-oxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-2-[1-(6-oxo-1-pyrimidinyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(6-oxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 2-[1-(6-ketopyrimidin-1-yl)ethyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCNC(C2)C(C)N3C=NC=CC3=O)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCNC(C2)C(C)N3C=NC=CC3=O)C(=O)OC

InChI

InChI=1S/C22H28N4O4/c1-4-19(27)26(17-8-6-5-7-9-17)22(21(29)30-3)11-13-24-18(14-22)16(2)25-15-23-12-10-20(25)28/h5-10,12,15-16,18,24H,4,11,13-14H2,1-3H3