(phenylmethyl) 4-(pyridin-3-ylcarbonylamino)butanoate

Systemtic Name: (phenylmethyl) 4-(pyridin-3-ylcarbonylamino)butanoate Openeye Name: benzyl 4-(pyridine-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-pyridinyl)methyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(pyridine-3-carbonylamino)butanoate Traditional Name: 4-nicotinamidobutyric acid benzyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCNC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H18N2O3/c20-16(22-13-14-6-2-1-3-7-14)9-5-11-19-17(21)15-8-4-10-18-12-15/h1-4,6-8,10,12H,5,9,11,13H2,(H,19,21)