methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(3-pyridin-3-ylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(3-pyridin-3-ylpropanoylamino)methyl]benzoate Openeye Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[[3-(3-pyridyl)propanoylamino]methyl]benzoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-5-[[[1-oxo-3-(3-pyridinyl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(3-pyridin-3-ylpropanoylamino)methyl]benzoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]-5-[[3-(3-pyridyl)propanoylamino]methyl]benzoic acid methyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C=CC2=CC=CC=C2)CNC(=O)CCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2)CNC(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C26H25N3O4/c1-33-26(32)22-14-21(18-28-24(30)11-10-20-8-5-13-27-17-20)15-23(16-22)29-25(31)12-9-19-6-3-2-4-7-19/h2-9,12-17H,10-11,18H2,1H3,(H,28,30)(H,29,31)/b12-9+