ethyl (4R,5S)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R,5S)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5S)-4-(3-ethoxy-4-hydroxy-phenyl)-6-oxo-2-(1-piperidyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-(1-piperidinyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-4-(3-ethoxy-4-hydroxy-phenyl)-6-keto-2-piperidino-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)N3CCCCC3)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[C@@H](C(=O)NC(=N2)N3CCCCC3)C(=O)OCC)O

InChI

InChI=1S/C20H27N3O5/c1-3-27-15-12-13(8-9-14(15)24)17-16(19(26)28-4-2)18(25)22-20(21-17)23-10-6-5-7-11-23/h8-9,12,16-17,24H,3-7,10-11H2,1-2H3,(H,21,22,25)/t16-,17-/m0/s1