methyl (E)-7-[2-methyl-4-[[(phenylmethyl)carbamoylamino]methyl]-1,3-dioxan-5-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-methyl-4-[[(phenylmethyl)carbamoylamino]methyl]-1,3-dioxan-5-yl]hept-5-enoate Openeye Name: methyl (E)-7-[4-[(benzylcarbamoylamino)methyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate CAS Name: (E)-7-[2-methyl-4-[[[oxo-[(phenylmethyl)amino]methyl]amino]methyl]-1,3-dioxan-5-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[4-[(benzylcarbamoylamino)methyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate Traditional Name: (E)-7-[4-[(benzylcarbamoylamino)methyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid methyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC1OCC(C(O1)CNC(=O)NCC2=CC=CC=C2)CC=CCCCC(=O)OC

Isomeric SMILES

CC1OCC(C(O1)CNC(=O)NCC2=CC=CC=C2)C/C=C/CCCC(=O)OC

InChI

InChI=1S/C22H32N2O5/c1-17-28-16-19(12-8-3-4-9-13-21(25)27-2)20(29-17)15-24-22(26)23-14-18-10-6-5-7-11-18/h3,5-8,10-11,17,19-20H,4,9,12-16H2,1-2H3,(H2,23,24,26)/b8-3+