2,2,2-tris(fluoranyl)ethyl 4-(3-methoxy-4-phenylmethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-(3-methoxy-4-phenylmethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-(4-benzyloxy-3-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-(3-methoxy-4-phenylmethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C22H21F3N2O5 MolecularWeight: 450.40775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC(F)(F)F)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC(F)(F)F)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21F3N2O5/c1-13-18(20(28)32-12-22(23,24)25)19(27-21(29)26-13)15-8-9-16(17(10-15)30-2)31-11-14-6-4-3-5-7-14/h3-10,18-19H,1,11-12H2,2H3,(H2,26,27,29)