cyclohexylmethyl 4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cyclohexylmethyl 4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclohexylmethyl 4-(2,5-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(2,5-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid cyclohexylmethyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(C(=C)NC(=O)N2)C(=O)OCC3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(C(=C)NC(=O)N2)C(=O)OCC3CCCCC3

InChI

InChI=1S/C21H28N2O5/c1-13-18(20(24)28-12-14-7-5-4-6-8-14)19(23-21(25)22-13)16-11-15(26-2)9-10-17(16)27-3/h9-11,14,18-19H,1,4-8,12H2,2-3H3,(H2,22,23,25)