methyl 1-[2-[4-(4-ethoxyphenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoyl]piperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CCC(CC3)C(=O)OC

InChI

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