methyl 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzoate Openeye Name: methyl 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzoate Traditional Name: 4-[3-[[(E)-3-phenylacryloyl]amino]propanoylamino]benzoic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4/c1-26-20(25)16-8-10-17(11-9-16)22-19(24)13-14-21-18(23)12-7-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,21,23)(H,22,24)/b12-7+