3-chloranylpropyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 3-chloranylpropyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 3-chloropropyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2,5-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 3-chloropropyl ester Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCCCl

InChI

InChI=1S/C17H21ClN2O5/c1-10-14(16(21)25-8-4-7-18)15(20-17(22)19-10)12-9-11(23-2)5-6-13(12)24-3/h5-6,9,14-15H,1,4,7-8H2,2-3H3,(H2,19,20,22)/t14-,15+/m1/s1