4-[(3-pyridin-3-ylpropanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(3-pyridin-3-ylpropanoylamino)methyl]benzoic acid Openeye Name: 4-[[3-(3-pyridyl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-3-(3-pyridinyl)propyl]amino]methyl]benzoic acid IUPAC Name: 4-[(3-pyridin-3-ylpropanoylamino)methyl]benzoic acid Traditional Name: 4-[[3-(3-pyridyl)propanoylamino]methyl]benzoic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16N2O3/c19-15(8-5-12-2-1-9-17-10-12)18-11-13-3-6-14(7-4-13)16(20)21/h1-4,6-7,9-10H,5,8,11H2,(H,18,19)(H,20,21)