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

Systemtic Name: ethyl (2S)-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)propanoate CAS Name: (2S)-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)propanoate Traditional Name: (2S)-2-(3,5-dibenzyl-4-keto-1,3,5-triazinan-1-yl)propionic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-3-28-21(26)18(2)25-16-23(14-19-10-6-4-7-11-19)22(27)24(17-25)15-20-12-8-5-9-13-20/h4-13,18H,3,14-17H2,1-2H3/t18-/m0/s1