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

Systemtic Name: methyl 4-methyl-3-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-[[(E)-3-phenylacryloyl]amino]propanoylamino]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-15-8-10-17(21(26)27-2)14-18(15)23-20(25)12-13-22-19(24)11-9-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,22,24)(H,23,25)/b11-9+