ethyl 1-[2-[4-(4-methoxyphenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(4-methoxyphenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-(4-methoxyphenyl)-6-oxo-1-pyrimidinyl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[6-keto-4-(4-methoxyphenyl)pyrimidin-1-yl]acetyl]isonipecotic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC(=CC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC(=CC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O5/c1-3-29-21(27)16-8-10-23(11-9-16)20(26)13-24-14-22-18(12-19(24)25)15-4-6-17(28-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3