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

Systemtic Name: (phenylmethyl) (5R,6S)-5-ethyl-4-oxidanylidene-6-phenyl-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate Openeye Name: benzyl (5R,6S)-5-ethyl-4-oxo-6-phenyl-3-[(1S)-1-phenylethyl]hexahydropyrimidine-1-carboxylate CAS Name: (5R,6S)-5-ethyl-4-oxo-6-phenyl-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5R,6S)-5-ethyl-4-oxo-6-phenyl-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate Traditional Name: (5R,6S)-5-ethyl-4-keto-6-phenyl-3-[(1S)-1-phenylethyl]hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(CN(C1=O)C(C)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[C@@H]1[C@H](N(CN(C1=O)[C@@H](C)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-3-25-26(24-17-11-6-12-18-24)30(28(32)33-19-22-13-7-4-8-14-22)20-29(27(25)31)21(2)23-15-9-5-10-16-23/h4-18,21,25-26H,3,19-20H2,1-2H3/t21-,25+,26+/m0/s1