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

Systemtic Name: methyl 4-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoyloxy]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoyloxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-[[(E)-3-phenylacryloyl]amino]propanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-29-22(28)17-8-10-18(11-9-17)24-20(26)15-30-21(27)13-14-23-19(25)12-7-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,23,25)(H,24,26)/b12-7+