ethyl (4S,5S)-4-(4-fluoranyl-3-phenoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(4-fluoranyl-3-phenoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(4-fluoro-3-phenoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-fluoro-3-phenoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(4-fluoro-3-phenoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(4-fluoro-3-phenoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19FN2O4 MolecularWeight: 370.374263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C20H19FN2O4/c1-3-26-19(24)17-12(2)22-20(25)23-18(17)13-9-10-15(21)16(11-13)27-14-7-5-4-6-8-14/h4-11,17-18H,2-3H2,1H3,(H2,22,23,25)/t17-,18-/m1/s1