2-[phenyl(pyridin-4-ylcarbonyl)amino]ethyl benzoate

Systemtic Name: 2-[phenyl(pyridin-4-ylcarbonyl)amino]ethyl benzoate Openeye Name: 2-[N-(pyridine-4-carbonyl)anilino]ethyl benzoate CAS Name: benzoic acid 2-(N-[oxo(pyridin-4-yl)methyl]anilino)ethyl ester IUPAC Name: 2-[N-(pyridine-4-carbonyl)anilino]ethyl benzoate Traditional Name: benzoic acid 2-(N-isonicotinoylanilino)ethyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCN(C2=CC=CC=C2)C(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCN(C2=CC=CC=C2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H18N2O3/c24-20(17-11-13-22-14-12-17)23(19-9-5-2-6-10-19)15-16-26-21(25)18-7-3-1-4-8-18/h1-14H,15-16H2