methyl (E)-4-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]but-2-enoate Openeye Name: methyl (E)-4-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)but-2-enoate CAS Name: (E)-4-[4-oxo-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)but-2-enoate Traditional Name: (E)-4-(3,5-dibenzyl-4-keto-1,3,5-triazinan-1-yl)but-2-enoic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1CN(C(=O)N(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/CN1CN(C(=O)N(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-28-21(26)13-8-14-23-17-24(15-19-9-4-2-5-10-19)22(27)25(18-23)16-20-11-6-3-7-12-20/h2-13H,14-18H2,1H3/b13-8+