methyl 4-[(3-pyridin-3-ylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(3-pyridin-3-ylpropanoylamino)methyl]benzoate Openeye Name: methyl 4-[[3-(3-pyridyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-(3-pyridinyl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-pyridin-3-ylpropanoylamino)methyl]benzoate Traditional Name: 4-[[3-(3-pyridyl)propanoylamino]methyl]benzoic acid methyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2=CN=CC=C2

InChI

InChI=1S/C17H18N2O3/c1-22-17(21)15-7-4-14(5-8-15)12-19-16(20)9-6-13-3-2-10-18-11-13/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,19,20)