5-[(2S)-3-oxidanyl-5-oxidanylidene-decan-2-yl]-1,3-bis(phenylmethyl)-1,3,5-triazinan-2-one

Systemtic Name: 5-[(2S)-3-oxidanyl-5-oxidanylidene-decan-2-yl]-1,3-bis(phenylmethyl)-1,3,5-triazinan-2-one Openeye Name: 1,3-dibenzyl-5-[(1S)-2-hydroxy-1-methyl-4-oxo-nonyl]-1,3,5-triazinan-2-one CAS Name: 5-[(2S)-3-hydroxy-5-oxodecan-2-yl]-1,3-bis(phenylmethyl)-1,3,5-triazinan-2-one IUPAC Name: 1,3-dibenzyl-5-[(2S)-3-hydroxy-5-oxodecan-2-yl]-1,3,5-triazinan-2-one Traditional Name: 1,3-dibenzyl-5-[(1S)-2-hydroxy-4-keto-1-methyl-nonyl]-1,3,5-triazinan-2-one Formula: C27H37N3O3 MolecularWeight: 451.60098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-3-4-7-16-25(31)17-26(32)22(2)30-20-28(18-23-12-8-5-9-13-23)27(33)29(21-30)19-24-14-10-6-11-15-24/h5-6,8-15,22,26,32H,3-4,7,16-21H2,1-2H3/t22-,26?/m0/s1