methyl (4R,5S)-4-(3-bromanyl-4-phenylmethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5S)-4-(3-bromanyl-4-phenylmethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(4-benzyloxy-3-bromo-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-bromo-4-phenylmethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(3-bromo-4-phenylmethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-benzoxy-3-bromo-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C20H19BrN2O4/c1-12-17(19(24)26-2)18(23-20(25)22-12)14-8-9-16(15(21)10-14)27-11-13-6-4-3-5-7-13/h3-10,17-18H,1,11H2,2H3,(H2,22,23,25)/t17-,18+/m1/s1