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

Systemtic Name: 3-bromanylpropyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: 3-bromopropyl (5R,6S)-4-methylene-2-oxo-6-(4-propoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylic acid 3-bromopropyl ester IUPAC Name: 3-bromopropyl (5R,6S)-4-methylidene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(4-propoxyphenyl)hexahydropyrimidine-5-carboxylic acid 3-bromopropyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCCBr

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCCBr

InChI

InChI=1S/C18H23BrN2O4/c1-3-10-24-14-7-5-13(6-8-14)16-15(12(2)20-18(23)21-16)17(22)25-11-4-9-19/h5-8,15-16H,2-4,9-11H2,1H3,(H2,20,21,23)/t15-,16+/m0/s1