tert-butyl (2S)-4-oxidanylidene-2-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]butanoate

Systemtic Name: tert-butyl (2S)-4-oxidanylidene-2-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]butanoate Openeye Name: tert-butyl (2S)-2-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)-4-oxo-butanoate CAS Name: (2S)-4-oxo-2-[4-oxo-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)-4-oxobutanoate Traditional Name: (2S)-2-(3,5-dibenzyl-4-keto-1,3,5-triazinan-1-yl)-4-keto-butyric acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC=O)N1CN(C(=O)N(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC=O)N1CN(C(=O)N(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-25(2,3)32-23(30)22(14-15-29)28-18-26(16-20-10-6-4-7-11-20)24(31)27(19-28)17-21-12-8-5-9-13-21/h4-13,15,22H,14,16-19H2,1-3H3/t22-/m0/s1