(phenylmethyl) (5S,6R)-6-ethyl-5-methyl-4-oxidanylidene-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) (5S,6R)-6-ethyl-5-methyl-4-oxidanylidene-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate Openeye Name: benzyl (5S,6R)-6-ethyl-5-methyl-4-oxo-3-[(1S)-1-phenylethyl]hexahydropyrimidine-1-carboxylate CAS Name: (5S,6R)-6-ethyl-5-methyl-4-oxo-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5S,6R)-6-ethyl-5-methyl-4-oxo-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate Traditional Name: (5S,6R)-6-ethyl-4-keto-5-methyl-3-[(1S)-1-phenylethyl]hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=O)N(CN1C(=O)OCC2=CC=CC=C2)C(C)C3=CC=CC=C3)C

Isomeric SMILES

CC[C@@H]1[C@@H](C(=O)N(CN1C(=O)OCC2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O3/c1-4-21-17(2)22(26)24(18(3)20-13-9-6-10-14-20)16-25(21)23(27)28-15-19-11-7-5-8-12-19/h5-14,17-18,21H,4,15-16H2,1-3H3/t17-,18-,21+/m0/s1