prop-2-enyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: prop-2-enyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: allyl (4R,5S)-4-(4-benzyloxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (5S,6R)-4-methylidene-2-oxo-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-benzoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-3-13-27-21(25)19-15(2)23-22(26)24-20(19)17-9-11-18(12-10-17)28-14-16-7-5-4-6-8-16/h3-12,19-20H,1-2,13-14H2,(H2,23,24,26)/t19-,20+/m1/s1