(4-cyanophenyl)methyl 3-(pyridin-3-ylcarbonylamino)benzoate

Systemtic Name: (4-cyanophenyl)methyl 3-(pyridin-3-ylcarbonylamino)benzoate Openeye Name: (4-cyanophenyl)methyl 3-(pyridine-3-carbonylamino)benzoate CAS Name: 3-[[oxo(3-pyridinyl)methyl]amino]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(pyridine-3-carbonylamino)benzoate Traditional Name: 3-nicotinamidobenzoic acid (4-cyanobenzyl) ester Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15N3O3/c22-12-15-6-8-16(9-7-15)14-27-21(26)17-3-1-5-19(11-17)24-20(25)18-4-2-10-23-13-18/h1-11,13H,14H2,(H,24,25)