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

Systemtic Name: methyl 1-[2-(6-oxidanylidenepyrimidin-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(6-oxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-[2-(6-oxo-1-pyrimidinyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(6-oxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-(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(CCN(CC2)CCN3C=NC=CC3=O)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=NC=CC3=O)C(=O)OC

InChI

InChI=1S/C22H28N4O4/c1-3-19(27)26(18-7-5-4-6-8-18)22(21(29)30-2)10-13-24(14-11-22)15-16-25-17-23-12-9-20(25)28/h4-9,12,17H,3,10-11,13-16H2,1-2H3