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

Systemtic Name: ethyl (2S)-3-oxidanyl-2-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]propanoate Openeye Name: ethyl (2S)-2-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[4-oxo-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)-3-hydroxypropanoate Traditional Name: (2S)-2-(3,5-dibenzyl-4-keto-1,3,5-triazinan-1-yl)-3-hydroxy-propionic acid ethyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-2-29-21(27)20(15-26)25-16-23(13-18-9-5-3-6-10-18)22(28)24(17-25)14-19-11-7-4-8-12-19/h3-12,20,26H,2,13-17H2,1H3/t20-/m0/s1