methyl (2S)-2-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]-3-phenylmethoxy-propanoate

Systemtic Name: methyl (2S)-2-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]-3-phenylmethoxy-propanoate Openeye Name: methyl (2S)-3-benzyloxy-2-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)propanoate CAS Name: (2S)-2-[4-oxo-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]-3-phenylmethoxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-(3,5-dibenzyl-4-keto-1,3,5-triazinan-1-yl)propionic acid methyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COCC1=CC=CC=C1)N2CN(C(=O)N(C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](COCC1=CC=CC=C1)N2CN(C(=O)N(C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-34-27(32)26(20-35-19-25-15-9-4-10-16-25)31-21-29(17-23-11-5-2-6-12-23)28(33)30(22-31)18-24-13-7-3-8-14-24/h2-16,26H,17-22H2,1H3/t26-/m0/s1