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

Systemtic Name: methyl (4S,5R)-4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5R)-4-(3-bromo-5-methoxy-4-propoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C2C(C(=C)NC(=O)N2)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC)OC

InChI

InChI=1S/C17H21BrN2O5/c1-5-6-25-15-11(18)7-10(8-12(15)23-3)14-13(16(21)24-4)9(2)19-17(22)20-14/h7-8,13-14H,2,5-6H2,1,3-4H3,(H2,19,20,22)/t13-,14+/m0/s1