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

Systemtic Name: 2-[3-[[[6-(2-azanylethylcarbamoyl)pyridin-3-yl]amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[[6-(2-aminoethylcarbamoyl)-3-pyridyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[6-[(2-aminoethylamino)-oxomethyl]-3-pyridinyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[[6-(2-aminoethylcarbamoyl)pyridin-3-yl]amino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[[6-(2-aminoethylcarbamoyl)-3-pyridyl]amino]methyl]phenoxy]acetic acid Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c18-6-7-19-17(24)15-5-4-13(10-21-15)20-9-12-2-1-3-14(8-12)25-11-16(22)23/h1-5,8,10,20H,6-7,9,11,18H2,(H,19,24)(H,22,23)