methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridin-4-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridin-4-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridine-4-carbonylamino)methyl]benzoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-5-[[[oxo(pyridin-4-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridine-4-carbonylamino)methyl]benzoate Traditional Name: 3-(isonicotinamidomethyl)-5-[[(E)-3-phenylacryloyl]amino]benzoic acid methyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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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)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4/c1-31-24(30)20-13-18(16-26-23(29)19-9-11-25-12-10-19)14-21(15-20)27-22(28)8-7-17-5-3-2-4-6-17/h2-15H,16H2,1H3,(H,26,29)(H,27,28)/b8-7+