4-[[(5-ethoxycarbonylpyridin-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-ethoxycarbonylpyridin-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(5-ethoxycarbonyl-2-pyridyl)amino]methyl]benzoic acid CAS Name: 4-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(5-ethoxycarbonylpyridin-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-carbethoxy-2-pyridyl)amino]methyl]benzoic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-2-22-16(21)13-7-8-14(18-10-13)17-9-11-3-5-12(6-4-11)15(19)20/h3-8,10H,2,9H2,1H3,(H,17,18)(H,19,20)