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

Systemtic Name: propyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(2-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: propyl (4S,5R)-4-(2-benzyloxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(2-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylic acid propyl ester IUPAC Name: propyl (5R,6S)-4-methylidene-2-oxo-6-(2-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-benzoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid propyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-3-13-27-21(25)19-15(2)23-22(26)24-20(19)17-11-7-8-12-18(17)28-14-16-9-5-4-6-10-16/h4-12,19-20H,2-3,13-14H2,1H3,(H2,23,24,26)/t19-,20+/m0/s1