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

Systemtic Name: (phenylmethyl) (5S,6S)-5-ethyl-4-oxidanylidene-3-[(1S)-1-phenylethyl]-6-propyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl (5S,6S)-5-ethyl-4-oxo-3-[(1S)-1-phenylethyl]-6-propyl-hexahydropyrimidine-1-carboxylate CAS Name: (5S,6S)-5-ethyl-4-oxo-3-[(1S)-1-phenylethyl]-6-propyl-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5S,6S)-5-ethyl-4-oxo-3-[(1S)-1-phenylethyl]-6-propyl-1,3-diazinane-1-carboxylate Traditional Name: (5S,6S)-5-ethyl-4-keto-3-[(1S)-1-phenylethyl]-6-propyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(=O)N(CN1C(=O)OCC2=CC=CC=C2)C(C)C3=CC=CC=C3)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-4-12-23-22(5-2)24(28)26(19(3)21-15-10-7-11-16-21)18-27(23)25(29)30-17-20-13-8-6-9-14-20/h6-11,13-16,19,22-23H,4-5,12,17-18H2,1-3H3/t19-,22-,23-/m0/s1