methyl 4-[bis(pyridin-3-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 4-[bis(pyridin-3-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 4-[bis(pyridine-3-carbonylamino)methyl]benzoate CAS Name: 4-[bis[[oxo(3-pyridinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(pyridine-3-carbonylamino)methyl]benzoate Traditional Name: 4-(dinicotinamidomethyl)benzoic acid methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-29-21(28)15-8-6-14(7-9-15)18(24-19(26)16-4-2-10-22-12-16)25-20(27)17-5-3-11-23-13-17/h2-13,18H,1H3,(H,24,26)(H,25,27)