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

Systemtic Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridin-3-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridine-3-carbonylamino)methyl]benzoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-5-[[[oxo(3-pyridinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridine-3-carbonylamino)methyl]benzoate Traditional Name: 3-(nicotinamidomethyl)-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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4/c1-31-24(30)20-12-18(15-26-23(29)19-8-5-11-25-16-19)13-21(14-20)27-22(28)10-9-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,26,29)(H,27,28)/b10-9+