3-[[[6-(2-azanylethylcarbamoyl)pyridin-3-yl]amino]methyl]benzoic acid

Systemtic Name: 3-[[[6-(2-azanylethylcarbamoyl)pyridin-3-yl]amino]methyl]benzoic acid Openeye Name: 3-[[[6-(2-aminoethylcarbamoyl)-3-pyridyl]amino]methyl]benzoic acid CAS Name: 3-[[[6-[(2-aminoethylamino)-oxomethyl]-3-pyridinyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[6-(2-aminoethylcarbamoyl)pyridin-3-yl]amino]methyl]benzoic acid Traditional Name: 3-[[[6-(2-aminoethylcarbamoyl)-3-pyridyl]amino]methyl]benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CN=C(C=C2)C(=O)NCCN)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CN=C(C=C2)C(=O)NCCN)C(=O)O

InChI

InChI=1S/C16H18N4O3/c17-6-7-18-15(21)14-5-4-13(10-20-14)19-9-11-2-1-3-12(8-11)16(22)23/h1-5,8,10,19H,6-7,9,17H2,(H,18,21)(H,22,23)