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

Systemtic Name: 2-phenoxyethyl (4R,5S)-4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-phenoxyethyl (4R,5S)-4-(3-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R,5S)-4-(3-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O4/c1-13-17(19(24)27-11-10-26-16-8-3-2-4-9-16)18(23-20(25)22-13)14-6-5-7-15(21)12-14/h2-9,12,17-18H,1,10-11H2,(H2,22,23,25)/t17-,18+/m1/s1